Update app.py

app.py

@@ -58,7 +58,7 @@ def calc_features(df, fp_types, desc_types, smartbox):
     if 'maccs' in fp_types:
         df['maccs'] = df['smiles'].apply(lambda s: np.array(MACCSkeys.GenMACCSKeys(Chem.MolFromSmiles(s))) if Chem.MolFromSmiles(s) else np.zeros(167))
     if 'rdkitfp' in fp_types:
-        df['rdkitfp'] = df['smiles'].apply(lambda s: np.array(rdMolDescriptors.GetRDKitFingerprintAsBitVect(Chem.MolFromSmiles(s), maxPath=5)) if Chem.MolFromSmiles(s) else np.zeros(2048))
+        df['rdkitfp'] = df['smiles'].apply(lambda s: np.array(Chem.RDKFingerprint(Chem.MolFromSmiles(s), maxPath=5)) if Chem.MolFromSmiles(s) else np.zeros(2048))
     for desc in desc_types:
         try:
             if hasattr(Descriptors, desc):