Run an exhaustive linter

BioinfoMachineLearning · Sep 30, 2024 · e8db61e · e8db61e
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Showing 4 changed files with 210 additions and 210 deletions.
diff --git a/notebooks/casp15_inference_results_plotting.ipynb b/notebooks/casp15_inference_results_plotting.ipynb
@@ -139,11 +139,11 @@
     "                \"casp15\",\n",
     "                f\"top_{method}{'' if 'ensemble' in method else '_ensemble'}_predictions_{repeat_index}\",\n",
     "            )\n",
-    "            globals()[\n",
-    "                f\"{method}{config}_scoring_results_csv_filepath_{repeat_index}\"\n",
-    "            ] = os.path.join(\n",
-    "                globals()[f\"{method}_output_dir_{repeat_index}\"] + config,\n",
-    "                \"scoring_results.csv\",\n",
+    "            globals()[f\"{method}{config}_scoring_results_csv_filepath_{repeat_index}\"] = (\n",
+    "                os.path.join(\n",
+    "                    globals()[f\"{method}_output_dir_{repeat_index}\"] + config,\n",
+    "                    \"scoring_results.csv\",\n",
+    "                )\n",
     "            )\n",
     "            globals()[f\"{method}{config}_bust_results_csv_filepath_{repeat_index}\"] = os.path.join(\n",
     "                globals()[f\"{method}_output_dir_{repeat_index}\"] + config,\n",

diff --git a/notebooks/dockgen_inference_results_plotting.ipynb b/notebooks/dockgen_inference_results_plotting.ipynb
@@ -100,12 +100,12 @@
     "    )\n",
     "\n",
     "    # DiffDock (relaxed-protein) results\n",
-    "    globals()[\n",
-    "        f\"diffdock_relaxed_protein_dockgen_bust_results_csv_filepath_{repeat_index}\"\n",
-    "    ] = os.path.join(\n",
-    "        globals()[\"diffdock_output_dir\"],\n",
-    "        f\"diffdock_dockgen_output_{repeat_index}\",\n",
-    "        \"bust_results.csv\",\n",
+    "    globals()[f\"diffdock_relaxed_protein_dockgen_bust_results_csv_filepath_{repeat_index}\"] = (\n",
+    "        os.path.join(\n",
+    "            globals()[\"diffdock_output_dir\"],\n",
+    "            f\"diffdock_dockgen_output_{repeat_index}\",\n",
+    "            \"bust_results.csv\",\n",
+    "        )\n",
     "    )\n",
     "    globals()[\n",
     "        f\"diffdock_relaxed_protein_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"\n",
@@ -121,12 +121,12 @@
     "        f\"diffdock_dockgen_output_{repeat_index}\",\n",
     "        \"bust_results.csv\",\n",
     "    )\n",
-    "    globals()[\n",
-    "        f\"diffdockv1_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"\n",
-    "    ] = os.path.join(\n",
-    "        globals()[\"diffdockv1_output_dir\"],\n",
-    "        f\"diffdock_dockgen_output_{repeat_index}_relaxed\",\n",
-    "        \"bust_results.csv\",\n",
+    "    globals()[f\"diffdockv1_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"] = (\n",
+    "        os.path.join(\n",
+    "            globals()[\"diffdockv1_output_dir\"],\n",
+    "            f\"diffdock_dockgen_output_{repeat_index}_relaxed\",\n",
+    "            \"bust_results.csv\",\n",
+    "        )\n",
     "    )\n",
     "\n",
     "    # FABind results\n",
@@ -147,12 +147,12 @@
     "        f\"dockgen_{repeat_index}\",\n",
     "        \"bust_results.csv\",\n",
     "    )\n",
-    "    globals()[\n",
-    "        f\"dynamicbind_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"\n",
-    "    ] = os.path.join(\n",
-    "        globals()[\"dynamicbind_output_dir\"],\n",
-    "        f\"dockgen_{repeat_index}_relaxed\",\n",
-    "        \"bust_results.csv\",\n",
+    "    globals()[f\"dynamicbind_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"] = (\n",
+    "        os.path.join(\n",
+    "            globals()[\"dynamicbind_output_dir\"],\n",
+    "            f\"dockgen_{repeat_index}_relaxed\",\n",
+    "            \"bust_results.csv\",\n",
+    "        )\n",
     "    )\n",
     "\n",
     "    # NeuralPLexer results\n",
@@ -161,12 +161,12 @@
     "        f\"neuralplexer_dockgen_outputs_{repeat_index}\",\n",
     "        \"bust_results.csv\",\n",
     "    )\n",
-    "    globals()[\n",
-    "        f\"neuralplexer_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"\n",
-    "    ] = os.path.join(\n",
-    "        globals()[\"neuralplexer_output_dir\"],\n",
-    "        f\"neuralplexer_dockgen_outputs_{repeat_index}_relaxed\",\n",
-    "        \"bust_results.csv\",\n",
+    "    globals()[f\"neuralplexer_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"] = (\n",
+    "        os.path.join(\n",
+    "            globals()[\"neuralplexer_output_dir\"],\n",
+    "            f\"neuralplexer_dockgen_outputs_{repeat_index}_relaxed\",\n",
+    "            \"bust_results.csv\",\n",
+    "        )\n",
     "    )\n",
     "\n",
     "    # RoseTTAFold-All-Atom results\n",
@@ -199,12 +199,12 @@
     "        f\"vina_diffdock_dockgen_outputs_{repeat_index}\",\n",
     "        \"bust_results.csv\",\n",
     "    )\n",
-    "    globals()[\n",
-    "        f\"vina_diffdock_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"\n",
-    "    ] = os.path.join(\n",
-    "        globals()[\"vina_output_dir\"],\n",
-    "        f\"vina_diffdock_dockgen_outputs_{repeat_index}_relaxed\",\n",
-    "        \"bust_results.csv\",\n",
+    "    globals()[f\"vina_diffdock_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"] = (\n",
+    "        os.path.join(\n",
+    "            globals()[\"vina_output_dir\"],\n",
+    "            f\"vina_diffdock_dockgen_outputs_{repeat_index}_relaxed\",\n",
+    "            \"bust_results.csv\",\n",
+    "        )\n",
     "    )\n",
     "\n",
     "    # P2Rank-Vina results\n",
@@ -213,28 +213,28 @@
     "        f\"vina_p2rank_dockgen_outputs_{repeat_index}\",\n",
     "        \"bust_results.csv\",\n",
     "    )\n",
-    "    globals()[\n",
-    "        f\"vina_p2rank_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"\n",
-    "    ] = os.path.join(\n",
-    "        globals()[\"vina_output_dir\"],\n",
-    "        f\"vina_p2rank_dockgen_outputs_{repeat_index}_relaxed\",\n",
-    "        \"bust_results.csv\",\n",
+    "    globals()[f\"vina_p2rank_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"] = (\n",
+    "        os.path.join(\n",
+    "            globals()[\"vina_output_dir\"],\n",
+    "            f\"vina_p2rank_dockgen_outputs_{repeat_index}_relaxed\",\n",
+    "            \"bust_results.csv\",\n",
+    "        )\n",
     "    )\n",
     "\n",
     "    # Consensus ensemble results\n",
-    "    globals()[\n",
-    "        f\"consensus_ensemble_dockgen_bust_results_csv_filepath_{repeat_index}\"\n",
-    "    ] = os.path.join(\n",
-    "        os.path.join(\"..\", \"data\", \"test_cases\", \"dockgen\"),\n",
-    "        f\"top_consensus_ensemble_predictions_{repeat_index}\",\n",
-    "        \"bust_results.csv\",\n",
-    "    )\n",
-    "    globals()[\n",
-    "        f\"consensus_ensemble_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"\n",
-    "    ] = os.path.join(\n",
-    "        os.path.join(\"..\", \"data\", \"test_cases\", \"dockgen\"),\n",
-    "        f\"top_consensus_ensemble_predictions_{repeat_index}_relaxed\",\n",
-    "        \"bust_results.csv\",\n",
+    "    globals()[f\"consensus_ensemble_dockgen_bust_results_csv_filepath_{repeat_index}\"] = (\n",
+    "        os.path.join(\n",
+    "            os.path.join(\"..\", \"data\", \"test_cases\", \"dockgen\"),\n",
+    "            f\"top_consensus_ensemble_predictions_{repeat_index}\",\n",
+    "            \"bust_results.csv\",\n",
+    "        )\n",
+    "    )\n",
+    "    globals()[f\"consensus_ensemble_dockgen_relaxed_bust_results_csv_filepath_{repeat_index}\"] = (\n",
+    "        os.path.join(\n",
+    "            os.path.join(\"..\", \"data\", \"test_cases\", \"dockgen\"),\n",
+    "            f\"top_consensus_ensemble_predictions_{repeat_index}_relaxed\",\n",
+    "            \"bust_results.csv\",\n",
+    "        )\n",
     "    )\n",
     "\n",
     "# Mappings\n",