See #109

lotusnprod · Mar 25, 2024 · 07f5cb1 · 07f5cb1
1 parent 9ca6730
commit 07f5cb1
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/update/generate_database_chemo.py b/update/generate_database_chemo.py
@@ -138,6 +138,8 @@ def run(path: Path) -> None:
 
                     p_smols.append(smol)
                     # TODO check which one to use
+                    # See #109
+                    # p_smileses.append(smiles)
                     p_smileses.append(smiles_clean)
                     smis_no_stereo.append(smiles_no_stereo)
                     inchis_no_stereo.append(inchi_no_stereo)