Bug fix

graphchem/preprocessing/features.py

@@ -3,6 +3,7 @@
 
 import numpy as np
 import rdkit
+from rdkit import Chem
 import torch
 
 
@@ -221,7 +222,7 @@ def __init__(self, smiles: List[str]):
         ValueError
             If any provided SMILES string cannot be parsed by RDKit.
         """
-        mols = [rdkit.Chem.MolFromSmiles(smi) for smi in smiles]
+        mols = [Chem.MolFromSmiles(smi) for smi in smiles]
         for idx, mol in enumerate(mols):
             if mol is None:
                 raise ValueError(f"Unable to parse SMILES: {smiles[idx]}")

pyproject.toml

@@ -7,7 +7,7 @@ include-package-data = true
 
 [project]
 name = "graphchem"
-version = "2.3.2"
+version = "2.3.3"
 authors = [
     { name="Travis Kessler", email="travis.j.kessler@gmail.com" },
 ]