Merge pull request #367 from shihchengli/invalid_smiles_fix

Ignore invalid atom-mapped SMILES
chemprop · Feb 8, 2023 · 959176d · 959176d
2 parents 2677112 + 1d8e10f
commit 959176d
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/chemprop/rdkit.py b/chemprop/rdkit.py
@@ -18,7 +18,7 @@ def make_mol(s: str, keep_h: bool, add_h: bool, keep_atom_map: bool):
     if add_h:
         mol = Chem.AddHs(mol)
 
-    if keep_atom_map:
+    if keep_atom_map and mol is not None:
         atom_map_numbers = tuple(atom.GetAtomMapNum() for atom in mol.GetAtoms())
         for idx, map_num in enumerate(atom_map_numbers):
             if idx + 1 != map_num: