Update app.py

app.py

@@ -115,8 +115,8 @@ def create_zip_with_txt(y_onehotenc_cat, res, y_pred_proba):
     with zipfile.ZipFile(zip_file_name, 'w') as zipf:
         # Add the .xyz files
         for i in range(5):
-            file_path = "Backend/COD_ICSD_XYZs_POMs_unique99/" + str(y_onehotenc_cat.categories_[i][res[0]])[2:-2] + "cale.xyz"
-            zipf.write(file_path, arcname=str(y_onehotenc_cat.categories_[i][res[0]])[2:-2] + "cale.xyz")
+            file_path = "Backend/COD_ICSD_XYZs_POMs_unique99/" + str(y_onehotenc_cat.categories_[0][res[i]])[2:-2] + "cale.xyz"
+            zipf.write(file_path, arcname=str(y_onehotenc_cat.categories_[0][res[i]])[2:-2] + "cale.xyz")
         
         # Create and add the txt file with model guesses
         with zipf.open("model_guesses.txt", "w") as f: