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Add FABind to remaining list in inference_analysis
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amorehead committed Jun 1, 2024
1 parent 74aeb59 commit 1ae822c
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/analysis/inference_analysis.py
Original file line number Diff line number Diff line change
Expand Up @@ -507,7 +507,7 @@ def create_mol_table(
else None
)
if mol_table["mol_pred"].isna().sum() > 0:
if cfg.method in ["diffdock", "dynamicbind", "vina", "tulip"]:
if cfg.method in ["diffdock", "fabind", "dynamicbind", "vina", "tulip"]:
logger.warning(
f"Skipping imputing missing (relaxed) predictions for {mol_table['mol_pred'].isna().sum()} molecules regarding the following conditioning inputs: {mol_table[mol_table['mol_pred'].isna()]['mol_cond'].tolist()}."
)
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