From f1a9456d1db79eef6785ad62a183a959c977e878 Mon Sep 17 00:00:00 2001 From: jebus Date: Thu, 12 Mar 2026 08:49:44 +1300 Subject: [PATCH] [Fix] enviFormer prediction (#352) Co-authored-by: Tim Lorsbach Reviewed-on: https://git.envipath.com/enviPath/enviPy/pulls/352 --- epdb/models.py | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/epdb/models.py b/epdb/models.py index 87bac4af..5f5471a6 100644 --- a/epdb/models.py +++ b/epdb/models.py @@ -3471,9 +3471,7 @@ class EnviFormer(PackageBasedModel): def predict_batch(self, smiles: List[str], *args, **kwargs): # Standardizer removes all but one compound from a raw SMILES string, so they need to be processed separately canon_smiles = [ - ".".join( - [FormatConverter.standardize(s, remove_stereo=True) for s in smiles.split(".")] - ) + ".".join([FormatConverter.standardize(s, remove_stereo=True) for s in smi.split(".")]) for smi in smiles ] logger.info(f"Submitting {canon_smiles} to {self.get_name()}")