Update app.py

app.py

@@ -1104,7 +1104,7 @@ def update_df(file, progress=gr.Progress(track_tqdm=True)):
                     lambda smiles: PandasTools._MolPlusFingerprint(Chem.MolFromSmiles(smiles)))
             df['Scaffold'] = df['Compound'].parallel_apply(MurckoScaffold.GetScaffoldForMol)
             df['Scaffold SMILES'] = df['Scaffold'].parallel_apply(lambda x: Chem.MolToSmiles(x))
-
+            df['Pharmacophore'] = None
         if task == 'Compound-Protein Binding Affinity':
             # Convert Y^ from pIC50 to IC50
             if 'Y^' in df.columns:
@@ -1223,6 +1223,8 @@ def create_html_report(df, file=None, task=None, opts=(), progress=gr.Progress(t
         # FIXME: Temporarily drop pharmacophore column before an image solution is found
         if 'Pharmacophore' in df_html.columns:
             df_html.drop(['Pharmacophore'], axis=1, inplace=True)
+        if unique_df is not None and 'Pharmacophore' in unique_df.columns:
+            unique_df.drop(['Pharmacophore'], axis=1, inplace=True)
 
         styled_df = df_html.fillna('').style.format(precision=3)