Fix notebook

BioinfoMachineLearning · Feb 2, 2025 · d9e2f0f · d9e2f0f
1 parent c6e2e07
commit d9e2f0f
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/notebooks/casp15_method_interaction_analysis_plotting.ipynb b/notebooks/casp15_method_interaction_analysis_plotting.ipynb
@@ -258,7 +258,6 @@
     "                protein_ligand_complex_filepath\n",
     "            ).split(\"_lig\")[0]\n",
     "            casp15_protein_ligand_interaction_dfs.append(casp15_protein_ligand_interaction_df)\n",
-    "            gc.collect()\n",
     "        except Exception as e:\n",
     "            print(\n",
     "                f\"Error processing CASP15 target {protein_ligand_complex_filepath} due to: {e}. Skipping...\"\n",
@@ -362,6 +361,7 @@
     "                    casp15_protein_ligand_interaction_dfs.append(\n",
     "                        casp15_protein_ligand_interaction_df\n",
     "                    )\n",
+    "                    gc.collect()\n",
     "                except Exception as e:\n",
     "                    print(\n",
     "                        f\"Error processing {method_title} target {casp15_target} due to: {e}. Skipping...\"\n",

diff --git a/notebooks/casp15_method_interaction_analysis_plotting.py b/notebooks/casp15_method_interaction_analysis_plotting.py
@@ -198,7 +198,6 @@ def create_temp_pdb_with_only_molecule_type_residues(
                 protein_ligand_complex_filepath
             ).split("_lig")[0]
             casp15_protein_ligand_interaction_dfs.append(casp15_protein_ligand_interaction_df)
-            gc.collect()
         except Exception as e:
             print(
                 f"Error processing CASP15 target {protein_ligand_complex_filepath} due to: {e}. Skipping..."
@@ -292,6 +291,7 @@ def create_temp_pdb_with_only_molecule_type_residues(
                     casp15_protein_ligand_interaction_dfs.append(
                         casp15_protein_ligand_interaction_df
                     )
+                    gc.collect()
                 except Exception as e:
                     print(
                         f"Error processing {method_title} target {casp15_target} due to: {e}. Skipping..."