[Fix] Compound Grouping, Identity prediction of enviFormer, Setting params (#337)

Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#337
2026-02-20 10:14:28 +13:00
parent 0ff046363c
commit d2c2e643cb
8 changed files with 43 additions and 20 deletions
--- a/epdb/tasks.py
+++ b/epdb/tasks.py
@ -420,7 +420,7 @@ def batch_predict(
    standardized_substrates_and_smiles = []
    for substrate in substrate_and_names:
        try:
-            stand_smiles = FormatConverter.standardize(substrate[0])
+            stand_smiles = FormatConverter.standardize(substrate[0], remove_stereo=True)
            standardized_substrates_and_smiles.append([stand_smiles, substrate[1]])
        except ValueError:
            raise ValueError(