diff --git a/environment.yaml b/environment.yaml
index 7bcdcab..fb75c28 100644
--- a/environment.yaml
+++ b/environment.yaml
@@ -14,11 +14,14 @@ dependencies:
   - pytest-cov
   - pytest-xdist
   - python
-  - openfe==1.11.0
   - openff-interchange-base != 0.5.1  # https://github.com/openforcefield/openff-interchange/issues/1450
+  - openfe
+  # tmp for dev build
+  - zstandard
+  - msgpack-python
   - pip:
-    - git+https://github.com/OpenFreeEnergy/openfe_analysis@v0.5.0 # Use conda-forge v0.5 after new openfe release updates pins on openfe-analysis
-    - git+https://github.com/OpenFreeEnergy/cinnabar@0.6.0 # Use conda-forge v0.6.0 after new openfe release updates pins on cinnabar
-    - git+https://github.com/OpenFreeEnergy/kartograf@v2.0.0  # Use conda-forge v2.0 after new openfe release updates pins on kartogra
-    - git+https://github.com/OpenFreeEnergy/konnektor@v0.4.0  # use conda-forge v0.4.0 after openfe conda-forge release
-    - git+https://github.com/OpenFreeEnergy/Lomap@v3.3.0  # use conda-forge v3.3.0 after openfe conda-forge release
+    - git+https://github.com/OpenFreeEnergy/openfe@epic/execution_improvements
+    - git+https://github.com/OpenFreeEnergy/exorcist@main
+    - git+https://github.com/OpenFreeEnergy/gufe@main
+
+
diff --git a/execution/alchemicalNetwork_mc1_small.json b/execution/alchemicalNetwork_mc1_small.json
new file mode 100644
index 0000000..843bcc2
--- /dev/null
+++ b/execution/alchemicalNetwork_mc1_small.json
@@ -0,0 +1 @@
+[["SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab", {"atoms": [[6, 0, 0, true, 0, 0, {"PartialCharge": -0.15505882352941178}, 3], [8, 0, 0, false, 0, 0, {"PartialCharge": -0.7983588235294118}, 3], [16, 0, 0, true, 0, 0, {"PartialCharge": 0.028441176470588237}, 3], [6, 0, 0, true, 0, 0, {"PartialCharge": -0.15005882352941177}, 3], [8, 0, -1, false, 0, 0, {"PartialCharge": -0.7983588235294118}, 3], [6, 0, 0, true, 0, 0, {"PartialCharge": -0.09305882352941176}, 3], [6, 0, 0, true, 0, 0, {"PartialCharge": -0.09905882352941177}, 3], [6, 0, 0, false, 0, 0, {"PartialCharge": 0.9317411764705882}, 3], [6, 0, 0, true, 0, 0, {"PartialCharge": -0.03485882352941176}, 3], [6, 0, 0, true, 0, 0, {"PartialCharge": -0.05565882352941176}, 3], [6, 0, 0, true, 0, 0, {"PartialCharge": -0.10515882352941176}, 3], [6, 0, 0, true, 0, 0, {"PartialCharge": -0.052858823529411764}, 3], [17, 0, 0, false, 0, 0, {"PartialCharge": -0.09245882352941176}, 4], [1, 0, 0, false, 0, 0, {"PartialCharge": 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{":gufe-key:": "SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3"}, "solvent": {":gufe-key:": "SolventComponent-26b4034ad9dbd9f908dfc298ea8d449f"}}, "name": "ligand_1_solvent", "__qualname__": "ChemicalSystem", "__module__": "gufe.chemicalsystem", ":version:": 1}], ["LigandAtomMapping-0cdd365bd42a6a6dcc223a297aeba078", {"componentA": {":gufe-key:": "SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab"}, "componentB": {":gufe-key:": "SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9"}, "componentA_to_componentB": {"0": 0, "1": 1, "2": 2, "3": 3, "4": 4, "5": 5, "6": 6, "7": 7, "8": 8, "9": 9, "10": 10, "11": 11, "12": 13, "13": 14, "14": 15, "15": 16}, "annotations": "{\"score\": 0.9048374180359595}", "__qualname__": "LigandAtomMapping", "__module__": "gufe.mapping.ligandatommapping", ":version:": 1}], ["ChemicalSystem-762ce73233b2ccd593c52026afef907a", {"components": {"ligand": {":gufe-key:": "SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9"}, "protein": {":gufe-key:": "ProteinComponent-ee7ec9e5f1904266e3b388963bdcfe3c"}, "solvent": {":gufe-key:": "SolventComponent-26b4034ad9dbd9f908dfc298ea8d449f"}}, "name": "ligand_3_complex", "__qualname__": "ChemicalSystem", "__module__": "gufe.chemicalsystem", ":version:": 1}], ["ChemicalSystem-c16bf392cc055620e6c0177fbca350c5", {"components": {"ligand": {":gufe-key:": "SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab"}, "protein": {":gufe-key:": "ProteinComponent-ee7ec9e5f1904266e3b388963bdcfe3c"}, "solvent": {":gufe-key:": "SolventComponent-26b4034ad9dbd9f908dfc298ea8d449f"}}, "name": "ligand_2_complex", "__qualname__": "ChemicalSystem", "__module__": "gufe.chemicalsystem", ":version:": 1}], ["ChemicalSystem-092349f47625178f21bc28888fc27d6a", {"components": {"ligand": {":gufe-key:": "SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3"}, "protein": {":gufe-key:": "ProteinComponent-ee7ec9e5f1904266e3b388963bdcfe3c"}, "solvent": {":gufe-key:": "SolventComponent-26b4034ad9dbd9f908dfc298ea8d449f"}}, "name": "ligand_1_complex", "__qualname__": "ChemicalSystem", "__module__": "gufe.chemicalsystem", ":version:": 1}], ["ChemicalSystem-5308ba234089fbedba66a79cdc314ef0", {"components": {"ligand": {":gufe-key:": "SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9"}, "solvent": {":gufe-key:": "SolventComponent-26b4034ad9dbd9f908dfc298ea8d449f"}}, "name": "ligand_3_solvent", "__qualname__": "ChemicalSystem", "__module__": "gufe.chemicalsystem", ":version:": 1}], ["Transformation-d51c5a0397bfe45865a78edd1935e3b0", {"stateA": {":gufe-key:": "ChemicalSystem-042fade29db8a39616f5a902e2da7ae3"}, "stateB": {":gufe-key:": "ChemicalSystem-d348563501aa206907231309a902cb32"}, "protocol": {":gufe-key:": "RelativeHybridTopologyProtocol-59d604ce336f12d44f6e4647a6f7e616"}, "mapping": {":gufe-key:": "LigandAtomMapping-f41553d7a14794ba0032735151e13492"}, "name": "ligand_1_solvent_ligand_2_solvent", "metadata": {}, "__qualname__": "Transformation", "__module__": "gufe.transformations.transformation", ":version:": 1}], ["Transformation-ae340a619b2794a9a3da4e72ef977885", {"stateA": {":gufe-key:": "ChemicalSystem-c16bf392cc055620e6c0177fbca350c5"}, "stateB": {":gufe-key:": "ChemicalSystem-762ce73233b2ccd593c52026afef907a"}, "protocol": {":gufe-key:": "RelativeHybridTopologyProtocol-59d604ce336f12d44f6e4647a6f7e616"}, "mapping": {":gufe-key:": "LigandAtomMapping-0cdd365bd42a6a6dcc223a297aeba078"}, "name": "ligand_2_complex_ligand_3_complex", "metadata": {}, "__qualname__": "Transformation", "__module__": "gufe.transformations.transformation", ":version:": 1}], ["Transformation-a8ccb7f841aafdc860143dad3f2bd82a", {"stateA": {":gufe-key:": "ChemicalSystem-092349f47625178f21bc28888fc27d6a"}, "stateB": {":gufe-key:": "ChemicalSystem-c16bf392cc055620e6c0177fbca350c5"}, "protocol": {":gufe-key:": "RelativeHybridTopologyProtocol-59d604ce336f12d44f6e4647a6f7e616"}, "mapping": {":gufe-key:": "LigandAtomMapping-f41553d7a14794ba0032735151e13492"}, "name": "ligand_1_complex_ligand_2_complex", "metadata": {}, "__qualname__": "Transformation", "__module__": "gufe.transformations.transformation", ":version:": 1}], ["Transformation-622f1d19bea91cd47a7e478e42376305", {"stateA": {":gufe-key:": "ChemicalSystem-d348563501aa206907231309a902cb32"}, "stateB": {":gufe-key:": "ChemicalSystem-5308ba234089fbedba66a79cdc314ef0"}, "protocol": {":gufe-key:": "RelativeHybridTopologyProtocol-59d604ce336f12d44f6e4647a6f7e616"}, "mapping": {":gufe-key:": "LigandAtomMapping-0cdd365bd42a6a6dcc223a297aeba078"}, "name": "ligand_2_solvent_ligand_3_solvent", "metadata": {}, "__qualname__": "Transformation", "__module__": "gufe.transformations.transformation", ":version:": 1}], ["AlchemicalNetwork-f7b23b93aebaa38a4fa6282ed9a2ee9b", {"nodes": [{":gufe-key:": "ChemicalSystem-042fade29db8a39616f5a902e2da7ae3"}, {":gufe-key:": "ChemicalSystem-092349f47625178f21bc28888fc27d6a"}, {":gufe-key:": "ChemicalSystem-5308ba234089fbedba66a79cdc314ef0"}, {":gufe-key:": "ChemicalSystem-762ce73233b2ccd593c52026afef907a"}, {":gufe-key:": "ChemicalSystem-c16bf392cc055620e6c0177fbca350c5"}, {":gufe-key:": "ChemicalSystem-d348563501aa206907231309a902cb32"}], "edges": [{":gufe-key:": "Transformation-622f1d19bea91cd47a7e478e42376305"}, {":gufe-key:": "Transformation-a8ccb7f841aafdc860143dad3f2bd82a"}, {":gufe-key:": "Transformation-ae340a619b2794a9a3da4e72ef977885"}, {":gufe-key:": "Transformation-d51c5a0397bfe45865a78edd1935e3b0"}], "name": null, "__qualname__": "AlchemicalNetwork", "__module__": "gufe.network", ":version:": 1}]]
\ No newline at end of file
diff --git a/execution/worker_based_execution.ipynb b/execution/worker_based_execution.ipynb
new file mode 100644
index 0000000..f017048
--- /dev/null
+++ b/execution/worker_based_execution.ipynb
@@ -0,0 +1,1127 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "dfffe446-14c0-4dea-92ea-0b9f862fdec6",
+   "metadata": {},
+   "source": [
+    "# Worker-Based Execution"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "id": "b600d427-abe5-418b-b4d1-a7cb23d7edf0",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import openfe"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "0a2035c9-8e0f-454e-9189-be3e41ae57f6",
+   "metadata": {},
+   "source": [
+    "load an AlchemicalNetwork to execute - this is a small example campaign with only two edges and pre-charged ligands"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "id": "6b72c4a4-310b-498d-afab-78950d5242bc",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "alchemical_network = openfe.AlchemicalNetwork.from_json(\"alchemicalNetwork_mc1_small.json\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "id": "4080f228-4603-432b-b64f-c632f2c8e52c",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# build a database of tasks from the AlchemicalNetwork\n",
+    "from openfe.orchestration import build_task_db_from_alchemical_network\n",
+    "\n",
+    "campaign_name = \"mcl1\"\n",
+    "task_db, wh = build_task_db_from_alchemical_network(\n",
+    "    alchemical_network=alchemical_network,\n",
+    "    warehouse_dir=campaign_name,\n",
+    "    db_path=f\"{campaign_name}.db\"\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "id": "0467cf6a-0363-4caf-beb4-53c5dd9b1e1d",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "TaskStatusDB(engine=Engine(sqlite:///mcl1.db))"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "task_db"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "id": "f49cc0c9-8bf0-4529-821e-afae169e8f9a",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "True"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# verify that the alchemicalnetwork is stored\n",
+    "wh.exists(alchemical_network.key)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "id": "419a05d8-bcb5-47f8-a2f9-74af8c6367e8",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>taskid</th>\n",
+       "      <th>status</th>\n",
+       "      <th>last_modified</th>\n",
+       "      <th>tries</th>\n",
+       "      <th>max_tries</th>\n",
+       "      <th>task_type</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>HybridTopologySetupUnit-ecf65f3541c5437bb72715...</td>\n",
+       "      <td>AVAILABLE</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>HybridTopologySetupUnit-355765327d874fdda08b98...</td>\n",
+       "      <td>AVAILABLE</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>HybridTopologySetupUnit-3e15a145d9be4c9aa58d27...</td>\n",
+       "      <td>AVAILABLE</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>HybridTopologySetupUnit-17736cf42a85408f907ff6...</td>\n",
+       "      <td>AVAILABLE</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-2618e46...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-5971e55...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>6</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-2e04387...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>7</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-d96090d...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>8</th>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-f5b1efe10...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>9</th>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-69e78e802...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>10</th>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-e1926eb0c...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>11</th>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-d41796011...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                               taskid     status  \\\n",
+       "0   HybridTopologySetupUnit-ecf65f3541c5437bb72715...  AVAILABLE   \n",
+       "1   HybridTopologySetupUnit-355765327d874fdda08b98...  AVAILABLE   \n",
+       "2   HybridTopologySetupUnit-3e15a145d9be4c9aa58d27...  AVAILABLE   \n",
+       "3   HybridTopologySetupUnit-17736cf42a85408f907ff6...  AVAILABLE   \n",
+       "4   HybridTopologyMultiStateSimulationUnit-2618e46...    BLOCKED   \n",
+       "5   HybridTopologyMultiStateSimulationUnit-5971e55...    BLOCKED   \n",
+       "6   HybridTopologyMultiStateSimulationUnit-2e04387...    BLOCKED   \n",
+       "7   HybridTopologyMultiStateSimulationUnit-d96090d...    BLOCKED   \n",
+       "8   HybridTopologyMultiStateAnalysisUnit-f5b1efe10...    BLOCKED   \n",
+       "9   HybridTopologyMultiStateAnalysisUnit-69e78e802...    BLOCKED   \n",
+       "10  HybridTopologyMultiStateAnalysisUnit-e1926eb0c...    BLOCKED   \n",
+       "11  HybridTopologyMultiStateAnalysisUnit-d41796011...    BLOCKED   \n",
+       "\n",
+       "   last_modified  tries  max_tries task_type  \n",
+       "0            NaT      0          1            \n",
+       "1            NaT      0          1            \n",
+       "2            NaT      0          1            \n",
+       "3            NaT      0          1            \n",
+       "4            NaT      0          1            \n",
+       "5            NaT      0          1            \n",
+       "6            NaT      0          1            \n",
+       "7            NaT      0          1            \n",
+       "8            NaT      0          1            \n",
+       "9            NaT      0          1            \n",
+       "10           NaT      0          1            \n",
+       "11           NaT      0          1            "
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from openfe.orchestration import get_task_df, get_dependency_df\n",
+    "\n",
+    "task_df = get_task_df(task_db);\n",
+    "task_df "
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "id": "1a09d3cb-e0a3-4129-be06-b122381b0735",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>from</th>\n",
+       "      <th>to</th>\n",
+       "      <th>blocking</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>HybridTopologySetupUnit-ecf65f3541c5437bb72715...</td>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-2618e46...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>HybridTopologySetupUnit-355765327d874fdda08b98...</td>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-5971e55...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>HybridTopologySetupUnit-3e15a145d9be4c9aa58d27...</td>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-2e04387...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>HybridTopologySetupUnit-17736cf42a85408f907ff6...</td>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-d96090d...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>HybridTopologySetupUnit-ecf65f3541c5437bb72715...</td>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-f5b1efe10...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-2618e46...</td>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-f5b1efe10...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>6</th>\n",
+       "      <td>HybridTopologySetupUnit-355765327d874fdda08b98...</td>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-69e78e802...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>7</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-5971e55...</td>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-69e78e802...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>8</th>\n",
+       "      <td>HybridTopologySetupUnit-3e15a145d9be4c9aa58d27...</td>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-e1926eb0c...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>9</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-2e04387...</td>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-e1926eb0c...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>10</th>\n",
+       "      <td>HybridTopologySetupUnit-17736cf42a85408f907ff6...</td>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-d41796011...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>11</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-d96090d...</td>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-d41796011...</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                 from  \\\n",
+       "0   HybridTopologySetupUnit-ecf65f3541c5437bb72715...   \n",
+       "1   HybridTopologySetupUnit-355765327d874fdda08b98...   \n",
+       "2   HybridTopologySetupUnit-3e15a145d9be4c9aa58d27...   \n",
+       "3   HybridTopologySetupUnit-17736cf42a85408f907ff6...   \n",
+       "4   HybridTopologySetupUnit-ecf65f3541c5437bb72715...   \n",
+       "5   HybridTopologyMultiStateSimulationUnit-2618e46...   \n",
+       "6   HybridTopologySetupUnit-355765327d874fdda08b98...   \n",
+       "7   HybridTopologyMultiStateSimulationUnit-5971e55...   \n",
+       "8   HybridTopologySetupUnit-3e15a145d9be4c9aa58d27...   \n",
+       "9   HybridTopologyMultiStateSimulationUnit-2e04387...   \n",
+       "10  HybridTopologySetupUnit-17736cf42a85408f907ff6...   \n",
+       "11  HybridTopologyMultiStateSimulationUnit-d96090d...   \n",
+       "\n",
+       "                                                   to  blocking  \n",
+       "0   HybridTopologyMultiStateSimulationUnit-2618e46...      True  \n",
+       "1   HybridTopologyMultiStateSimulationUnit-5971e55...      True  \n",
+       "2   HybridTopologyMultiStateSimulationUnit-2e04387...      True  \n",
+       "3   HybridTopologyMultiStateSimulationUnit-d96090d...      True  \n",
+       "4   HybridTopologyMultiStateAnalysisUnit-f5b1efe10...      True  \n",
+       "5   HybridTopologyMultiStateAnalysisUnit-f5b1efe10...      True  \n",
+       "6   HybridTopologyMultiStateAnalysisUnit-69e78e802...      True  \n",
+       "7   HybridTopologyMultiStateAnalysisUnit-69e78e802...      True  \n",
+       "8   HybridTopologyMultiStateAnalysisUnit-e1926eb0c...      True  \n",
+       "9   HybridTopologyMultiStateAnalysisUnit-e1926eb0c...      True  \n",
+       "10  HybridTopologyMultiStateAnalysisUnit-d41796011...      True  \n",
+       "11  HybridTopologyMultiStateAnalysisUnit-d41796011...      True  "
+      ]
+     },
+     "execution_count": 8,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dep_df = get_dependency_df(task_db);\n",
+    "dep_df"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "2d376371-0160-40ac-ac6b-0e9e3fe80f97",
+   "metadata": {},
+   "source": [
+    "## use a Worker to run the jobs"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "id": "a74e9960-8d17-4bc4-8069-6946d8cea370",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from openfe.orchestration import Worker\n",
+    "db_path = f\"{wh.name}.db\"\n",
+    "worker = Worker(wh, db_path)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "id": "17c2b502-6ece-45c9-af05-6678f896f7e4",
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:openfe.utils.system_probe.log:SYSTEM CONFIG DETAILS:\n",
+      "INFO:openfe.utils.system_probe.log.hostname:hostname: 'Alyssas-Macbook-Pro.local'\n",
+      "INFO:openfe.utils.system_probe.log.gpu:CUDA-based GPU not found\n",
+      "INFO:openfe.utils.system_probe.log:Memory used: 21.4G (62.7%)\n",
+      "INFO:openfe.utils.system_probe.log:scratch/task_workdirs/HybridTopologySetupUnit-ecf65f3541c5437bb727155d0c2692a0: 66% full (312.2G free)\n",
+      "INFO:gufekey.openfe.protocols.openmm_rfe.hybridtop_units.HybridTopologySetupUnit:Starting system setup unit\n",
+      "INFO:gufekey.openfe.protocols.openmm_rfe.hybridtop_units.HybridTopologySetupUnit:Parameterizing systems\n",
+      "INFO:openmmforcefields.generators.template_generators:Requested to generate parameters for residue <Residue 0 (LIG) of chain 0>\n",
+      "INFO:openmmforcefields.generators.template_generators:Generating a residue template for [H][C]1=[C]([C](=[O])[O-])[S][c]2[c]([H])[c]([H])[c]([H])[c]([H])[c]21 using openff-2.2.1\n",
+      "INFO:exorcist.taskdb:Marking try of HybridTopologySetupUnit-ecf65f3541c5437bb727155d0c2692a0 as failed.\n",
+      "INFO:exorcist.taskdb:Checking out a new task\n",
+      "INFO:exorcist.taskdb:Selected task 'HybridTopologySetupUnit-355765327d874fdda08b98c1f99b4b34'\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:openfe.utils.system_probe.log:SYSTEM CONFIG DETAILS:\n",
+      "INFO:openfe.utils.system_probe.log.hostname:hostname: 'Alyssas-Macbook-Pro.local'\n",
+      "INFO:openfe.utils.system_probe.log.gpu:CUDA-based GPU not found\n",
+      "INFO:openfe.utils.system_probe.log:Memory used: 21.4G (62.7%)\n",
+      "INFO:openfe.utils.system_probe.log:scratch/task_workdirs/HybridTopologySetupUnit-355765327d874fdda08b98c1f99b4b34: 66% full (312.2G free)\n",
+      "INFO:gufekey.openfe.protocols.openmm_rfe.hybridtop_units.HybridTopologySetupUnit:Starting system setup unit\n",
+      "INFO:gufekey.openfe.protocols.openmm_rfe.hybridtop_units.HybridTopologySetupUnit:Parameterizing systems\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "('HybridTopologySetupUnit-ecf65f3541c5437bb727155d0c2692a0', ProtocolUnitFailure(HybridTopology Setup: ligand_1 to ligand_2 repeat 0 generation 0))\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:openmmforcefields.generators.template_generators:Requested to generate parameters for residue <Residue 153 (LIG) of chain 1>\n",
+      "INFO:openmmforcefields.generators.template_generators:Generating a residue template for [H][C]1=[C]([C](=[O])[O-])[S][c]2[c]([H])[c]([H])[c]([H])[c]([H])[c]21 using openff-2.2.1\n",
+      "INFO:exorcist.taskdb:Marking try of HybridTopologySetupUnit-355765327d874fdda08b98c1f99b4b34 as failed.\n",
+      "INFO:exorcist.taskdb:Checking out a new task\n",
+      "INFO:exorcist.taskdb:Selected task 'HybridTopologySetupUnit-3e15a145d9be4c9aa58d270f7e06df54'\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:openfe.utils.system_probe.log:SYSTEM CONFIG DETAILS:\n",
+      "INFO:openfe.utils.system_probe.log.hostname:hostname: 'Alyssas-Macbook-Pro.local'\n",
+      "INFO:openfe.utils.system_probe.log.gpu:CUDA-based GPU not found\n",
+      "INFO:openfe.utils.system_probe.log:Memory used: 21.4G (62.7%)\n",
+      "INFO:openfe.utils.system_probe.log:scratch/task_workdirs/HybridTopologySetupUnit-3e15a145d9be4c9aa58d270f7e06df54: 66% full (312.4G free)\n",
+      "INFO:gufekey.openfe.protocols.openmm_rfe.hybridtop_units.HybridTopologySetupUnit:Starting system setup unit\n",
+      "INFO:gufekey.openfe.protocols.openmm_rfe.hybridtop_units.HybridTopologySetupUnit:Parameterizing systems\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "('HybridTopologySetupUnit-355765327d874fdda08b98c1f99b4b34', ProtocolUnitFailure(HybridTopology Setup: ligand_1 to ligand_2 repeat 0 generation 0))\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:openmmforcefields.generators.template_generators:Requested to generate parameters for residue <Residue 0 (LIG) of chain 0>\n",
+      "INFO:openmmforcefields.generators.template_generators:Generating a residue template for [H][c]1[c]([H])[c]([H])[c]2[c]([c]1[H])[S][C]([C](=[O])[O-])=[C]2[Cl] using openff-2.2.1\n",
+      "INFO:exorcist.taskdb:Marking try of HybridTopologySetupUnit-3e15a145d9be4c9aa58d270f7e06df54 as failed.\n",
+      "INFO:exorcist.taskdb:Checking out a new task\n",
+      "INFO:exorcist.taskdb:Selected task 'HybridTopologySetupUnit-17736cf42a85408f907ff64fc78a9b72'\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:openfe.utils.system_probe.log:SYSTEM CONFIG DETAILS:\n",
+      "INFO:openfe.utils.system_probe.log.hostname:hostname: 'Alyssas-Macbook-Pro.local'\n",
+      "INFO:openfe.utils.system_probe.log.gpu:CUDA-based GPU not found\n",
+      "INFO:openfe.utils.system_probe.log:Memory used: 21.4G (62.8%)\n",
+      "INFO:openfe.utils.system_probe.log:scratch/task_workdirs/HybridTopologySetupUnit-17736cf42a85408f907ff64fc78a9b72: 66% full (312.4G free)\n",
+      "INFO:gufekey.openfe.protocols.openmm_rfe.hybridtop_units.HybridTopologySetupUnit:Starting system setup unit\n",
+      "INFO:gufekey.openfe.protocols.openmm_rfe.hybridtop_units.HybridTopologySetupUnit:Parameterizing systems\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "('HybridTopologySetupUnit-3e15a145d9be4c9aa58d270f7e06df54', ProtocolUnitFailure(HybridTopology Setup: ligand_2 to ligand_3 repeat 0 generation 0))\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:openmmforcefields.generators.template_generators:Requested to generate parameters for residue <Residue 153 (LIG) of chain 1>\n",
+      "INFO:openmmforcefields.generators.template_generators:Generating a residue template for [H][c]1[c]([H])[c]([H])[c]2[c]([c]1[H])[S][C]([C](=[O])[O-])=[C]2[Cl] using openff-2.2.1\n",
+      "INFO:exorcist.taskdb:Marking try of HybridTopologySetupUnit-17736cf42a85408f907ff64fc78a9b72 as failed.\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "('HybridTopologySetupUnit-17736cf42a85408f907ff64fc78a9b72', ProtocolUnitFailure(HybridTopology Setup: ligand_2 to ligand_3 repeat 0 generation 0))\n"
+     ]
+    }
+   ],
+   "source": [
+    "# run this cell to execute units and do a status check\n",
+    "n_submissions = 4\n",
+    "for _ in range(n_submissions):\n",
+    "    exec_result = worker.execute_unit(scratch='scratch')\n",
+    "    print(exec_result)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "id": "e8ebb623-1a1f-4fa2-bf8d-8a732a75344c",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
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+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>taskid</th>\n",
+       "      <th>status</th>\n",
+       "      <th>last_modified</th>\n",
+       "      <th>tries</th>\n",
+       "      <th>max_tries</th>\n",
+       "      <th>task_type</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>HybridTopologySetupUnit-ecf65f3541c5437bb72715...</td>\n",
+       "      <td>TOO_MANY_RETRIES</td>\n",
+       "      <td>2026-08-27 15:16:23.081446</td>\n",
+       "      <td>1</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>HybridTopologySetupUnit-355765327d874fdda08b98...</td>\n",
+       "      <td>TOO_MANY_RETRIES</td>\n",
+       "      <td>2026-08-27 15:16:23.668511</td>\n",
+       "      <td>1</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>HybridTopologySetupUnit-3e15a145d9be4c9aa58d27...</td>\n",
+       "      <td>TOO_MANY_RETRIES</td>\n",
+       "      <td>2026-08-27 15:16:24.056751</td>\n",
+       "      <td>1</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>HybridTopologySetupUnit-17736cf42a85408f907ff6...</td>\n",
+       "      <td>TOO_MANY_RETRIES</td>\n",
+       "      <td>2026-08-27 15:16:24.439276</td>\n",
+       "      <td>1</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-2618e46...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-5971e55...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>6</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-2e04387...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>7</th>\n",
+       "      <td>HybridTopologyMultiStateSimulationUnit-d96090d...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>8</th>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-f5b1efe10...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>9</th>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-69e78e802...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>10</th>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-e1926eb0c...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>11</th>\n",
+       "      <td>HybridTopologyMultiStateAnalysisUnit-d41796011...</td>\n",
+       "      <td>BLOCKED</td>\n",
+       "      <td>NaT</td>\n",
+       "      <td>0</td>\n",
+       "      <td>1</td>\n",
+       "      <td></td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                               taskid            status  \\\n",
+       "0   HybridTopologySetupUnit-ecf65f3541c5437bb72715...  TOO_MANY_RETRIES   \n",
+       "1   HybridTopologySetupUnit-355765327d874fdda08b98...  TOO_MANY_RETRIES   \n",
+       "2   HybridTopologySetupUnit-3e15a145d9be4c9aa58d27...  TOO_MANY_RETRIES   \n",
+       "3   HybridTopologySetupUnit-17736cf42a85408f907ff6...  TOO_MANY_RETRIES   \n",
+       "4   HybridTopologyMultiStateSimulationUnit-2618e46...           BLOCKED   \n",
+       "5   HybridTopologyMultiStateSimulationUnit-5971e55...           BLOCKED   \n",
+       "6   HybridTopologyMultiStateSimulationUnit-2e04387...           BLOCKED   \n",
+       "7   HybridTopologyMultiStateSimulationUnit-d96090d...           BLOCKED   \n",
+       "8   HybridTopologyMultiStateAnalysisUnit-f5b1efe10...           BLOCKED   \n",
+       "9   HybridTopologyMultiStateAnalysisUnit-69e78e802...           BLOCKED   \n",
+       "10  HybridTopologyMultiStateAnalysisUnit-e1926eb0c...           BLOCKED   \n",
+       "11  HybridTopologyMultiStateAnalysisUnit-d41796011...           BLOCKED   \n",
+       "\n",
+       "                last_modified  tries  max_tries task_type  \n",
+       "0  2026-08-27 15:16:23.081446      1          1            \n",
+       "1  2026-08-27 15:16:23.668511      1          1            \n",
+       "2  2026-08-27 15:16:24.056751      1          1            \n",
+       "3  2026-08-27 15:16:24.439276      1          1            \n",
+       "4                         NaT      0          1            \n",
+       "5                         NaT      0          1            \n",
+       "6                         NaT      0          1            \n",
+       "7                         NaT      0          1            \n",
+       "8                         NaT      0          1            \n",
+       "9                         NaT      0          1            \n",
+       "10                        NaT      0          1            \n",
+       "11                        NaT      0          1            "
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "df=get_task_df(task_db)\n",
+    "df"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "2bd7c48e-2098-4bc2-a093-d4d34018b42f",
+   "metadata": {},
+   "source": [
+    "## Load results \n",
+    "(cooking show magic)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "id": "1b5da3c0-785a-49dc-963e-00c9dd102e23",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# load a different warehouse\n",
+    "from openfe.storage.warehouse import FileSystemWarehouse\n",
+    "other_wh = FileSystemWarehouse.from_dir(\"mcl1\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "id": "3204e27c-b3b4-4997-8cac-b0932cfa6ccb",
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e5a4596e9d800367c6832564a93877f3 (name: 'ligand_1')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-e42f2d6e8715f91ce1dd6dd3a3b62fe9 (name: 'ligand_3')\n",
+      "INFO:gufekey.gufe.components.smallmoleculecomponent.SmallMoleculeComponent:Partial charges are present for SmallMoleculeComponent-8f5b6a9848f63293c9b2361b51b466ab (name: 'ligand_2')\n"
+     ]
+    }
+   ],
+   "source": [
+    "result_edges = other_wh.gather_all_results();"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "id": "e1e1314a-6ef8-453d-b70f-19123ab98307",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[(<RelativeHybridTopologyProtocolResult-8301d203efc373156a71d2307c2b45b4>,\n",
+       "  <ProtocolDAGResult-33d7e566301e554d5d3cf8a3c02cfdc7>),\n",
+       " (<RelativeHybridTopologyProtocolResult-8301d203efc373156a71d2307c2b45b4>,\n",
+       "  <ProtocolDAGResult-91f17463e711af5197c03f15e02c7b0f>),\n",
+       " (<RelativeHybridTopologyProtocolResult-8301d203efc373156a71d2307c2b45b4>,\n",
+       "  <ProtocolDAGResult-e234027ae25acb45a1399386a820a025>),\n",
+       " (<RelativeHybridTopologyProtocolResult-8301d203efc373156a71d2307c2b45b4>,\n",
+       "  <ProtocolDAGResult-d190ced937850252a6ccecea13014c79>)]"
+      ]
+     },
+     "execution_count": 16,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "result_edges"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "id": "7ea35b83-b88a-426c-9436-5ee7fec3b0c9",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[]"
+      ]
+     },
+     "execution_count": 17,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "[(pr.get_estimate(), pr.get_uncertainty()) for pr, dag in result_edges if dag.ok()]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "be1c25cb-b3e0-41d1-9cd3-a84b5b8820c8",
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.13.15"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}