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Add PDBBind analysis support to dataset interaction analysis notebook
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notebooks/dataset_interaction_analysis_plotting.ipynb

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -528,7 +528,7 @@
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" dfs.append(\n",
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" process_dataset(\n",
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" f\"pdbbind_training_subset_{pdbbind_train_subset_size}_interaction_dataframes.h5\",\n",
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" \"PDBBind 2020 (RandTrain@1000)\",\n",
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" \"PDBBind 2020 (1000)\",\n",
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" )\n",
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" )\n",
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"\n",
@@ -551,7 +551,7 @@
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"df = pd.concat(dfs)\n",
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"\n",
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"# plot statistics\n",
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"fig, axes = plt.subplots(2, 2, figsize=(14, 10), sharey=False)\n",
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"fig, axes = plt.subplots(2, 2, figsize=(18, 12), sharey=False)\n",
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"\n",
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"interaction_types = [\n",
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" \"Hydrogen Bond Acceptors\",\n",

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