Update src/streamlit_app.py

src/streamlit_app.py

@@ -227,12 +227,12 @@ def smiles_to_graph(smiles, label=None):
 
 df = pd.read_csv("tox21.csv")[['smiles', 'SR-HSE']].dropna()
 df = df[df['SR-HSE'].isin([0, 1])].reset_index(drop=True)
-df = df[df['smiles'].apply(is_valid_graph)].reset_index(drop=True)
 
 # ✅ Filter invalid or unprocessable SMILES
 def is_valid_graph(smi):
     mol = Chem.MolFromSmiles(smi)
     return mol is not None and smiles_to_graph(smi) is not None
+df = df[df['smiles'].apply(is_valid_graph)].reset_index(drop=True)