diff --git a/moses/metrics/utils.py b/moses/metrics/utils.py index a821b94..b4304bb 100644 --- a/moses/metrics/utils.py +++ b/moses/metrics/utils.py @@ -21,7 +21,7 @@ _pains = pd.read_csv(os.path.join(_base_dir, 'wehi_pains.csv'), names=['smarts', 'names']) _filters = [Chem.MolFromSmarts(x) for x in - _mcf.append(_pains, sort=True)['smarts'].values] + _mcf._append(_pains, sort=True)['smarts'].values] def canonic_smiles(smiles_or_mol):