Update app.py

app.py

@@ -54,7 +54,10 @@ def predict(input_image):
         predictions = session.run([output_name], {input_name: processed_image})
         
         # 假设模型输出是SMILES字符串
-        smiles = predictions[0][0]  # 根据实际模型输出格式调整
+        output = predictions[0]  # 根据实际模型输出格式调整
+        atoms_df, bonds_list,charge_list =bbox_to_graph_with_charge(output, idx_to_labels=idx_to_labels,
+                                                    bond_labels=bond_labels,  result=[])
+        smiles,mol_rebuit=mol_from_graph_with_chiral(atoms_df, bonds_list,charge_list )
         
         # 使用RDKit生成分子结构图
         mol_image = visualize_molecule(smiles)