Update app.py

app.py

@@ -186,14 +186,26 @@ with gr.Blocks(title="Cheminformatics Platform") as demo:
         model_status = gr.Markdown("模型狀態")
         smiles_pred = gr.Textbox(label="預測SMILES")
         y_pred = gr.Textbox(label="預測值/類別")
-        def train_and_predict(f, s):
-            if not f: return "請先上傳CSV", ""
+        model_state = gr.State(None)  # 新增 State 儲存模型
+    
+        def handle_train(f):
+            if not f:
+                return "請上傳資料", None
             df = add_fps_and_desc(load_csv(f))
             model, scores = train_model(df)
-            pred = predict_single(model, s)
-            return f"模型交叉驗證: {np.round(scores,3)}", str(pred)
-        file5.upload(lambda f: "已載入, 請輸入SMILES進行預測" if f else "請上傳資料", file5, model_status)
-        smiles_pred.change(lambda s: train_and_predict(file5.value, s), smiles_pred, [model_status, y_pred])
+            return f"模型交叉驗證: {np.round(scores,3)}", model
+    
+        def handle_predict(s, model):
+            if model is None:
+                return "請先訓練模型", ""
+            try:
+                pred = predict_single(model, s)
+                return "已預測", str(pred)
+            except Exception as e:
+                return f"預測失敗: {e}", ""
+    
+        file5.upload(handle_train, file5, [model_status, model_state])
+        smiles_pred.change(handle_predict, [smiles_pred, model_state], [model_status, y_pred])
     
     gr.Markdown("---\n> 建議工作流：1️⃣資料導入 → 2️⃣特徵生成 → 3️⃣EDA探索 → 4️⃣分群 → 5️⃣建模預測")