Handle an edge case for DynamicBind inference analysis

BioinfoMachineLearning · May 29, 2024 · b718d40 · b718d40
1 parent 8f182bd
commit b718d40
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/analysis/inference_analysis.py b/src/analysis/inference_analysis.py
@@ -517,7 +517,7 @@ def create_mol_table(
                         f"After imputing missing (relaxed) predictions, still missing predictions for {mol_table['mol_pred'].isna().sum()} molecules regarding the following conditioning inputs: {mol_table[mol_table['mol_pred'].isna()]['mol_cond'].tolist()}."
                     )
         else:
-            if cfg.method in ["diffdock", "vina", "tulip"]:
+            if cfg.method in ["diffdock", "dynamicbind", "vina", "tulip"]:
                 logger.warning(
                     f"Skipping missing predictions for {mol_table['mol_pred'].isna().sum()} molecules regarding the following conditioning inputs: {mol_table[mol_table['mol_pred'].isna()]['mol_cond'].tolist()}."
                 )