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Update DockGen plots
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notebooks/dockgen_structure_prediction_results_plotting.ipynb

Lines changed: 15 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -497,7 +497,9 @@
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" y=\"rmsd\",\n",
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" hue=\"post-processing\",\n",
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" # ignore outliers for better readability\n",
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" data=combined_relaxed_data[combined_relaxed_data[\"rmsd\"] < 10],\n",
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" data=combined_relaxed_data[\n",
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" (combined_relaxed_data[\"rmsd\"] < 10) & ~(combined_relaxed_data[\"rmsd\"].isna())\n",
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" ],\n",
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" split=True,\n",
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" inner=\"quartile\",\n",
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" palette=colors,\n",
@@ -555,11 +557,21 @@
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" num_methods = len(dockgen_labels)\n",
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"\n",
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" num_dockgen_data_points = max(\n",
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" len(dockgen_results_table[(dockgen_results_table[\"method\"] == method)])\n",
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" len(\n",
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" dockgen_results_table[\n",
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" (dockgen_results_table[\"method\"] == method)\n",
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" & ~(dockgen_results_table[\"rmsd\"].isna())\n",
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" ]\n",
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" )\n",
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" for method in dockgen_labels\n",
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" )\n",
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" num_dockgen_relaxed_data_points = max(\n",
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" len(dockgen_relaxed_results_table[(dockgen_relaxed_results_table[\"method\"] == method)])\n",
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" len(\n",
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" dockgen_relaxed_results_table[\n",
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" (dockgen_relaxed_results_table[\"method\"] == method)\n",
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" & ~(dockgen_relaxed_results_table[\"rmsd\"].isna())\n",
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" ]\n",
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" )\n",
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" for method in dockgen_labels\n",
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" )\n",
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"\n",

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