Updated interface

app.py

@@ -68,17 +68,35 @@ Request: {user_text}"""
     except Exception as e:
         return None, f"Error: {e}", "", ""
 
-iface = gr.Interface(
-    fn=mcp_tool,
-    inputs=[gr.Textbox(label="Describe your simulation (e.g., 'Optimize a water molecule')")],
-    outputs=[
-        gr.Textbox(label="Prompt Sent to Gemini"),
-        gr.Image(label="Simulation Result"),
-        gr.Textbox(label="LLM Analysis"),
-        gr.Code(label="Generated ASE Code")
-    ],
-    title="ASE+Gemini MCP Tool"
-)
+with gr.Blocks(title="ASE+Gemini MCP Tool") as iface:
+    gr.Markdown("# ASE+Gemini Molecular Simulation Tool")
+    
+    with gr.Row():
+        with gr.Column(scale=2):
+            user_prompt = gr.Textbox(
+                label="Enter your simulation prompt",
+                placeholder="e.g., 'Optimize a water molecule with DFTB+ calculator'",
+                lines=3
+            )
+            submit_btn = gr.Button("Run Simulation")
+            
+    with gr.Row():
+        with gr.Column():
+            result_image = gr.Image(label="Simulation Result")
+        with gr.Column():
+            analysis = gr.Textbox(label="LLM Analysis")
+    
+    with gr.Row():
+        with gr.Column():
+            prompt_sent = gr.Textbox(label="Prompt Sent to Gemini")
+        with gr.Column():
+            generated_code = gr.Code(label="Generated ASE Code")
+    
+    submit_btn.click(
+        fn=mcp_tool,
+        inputs=user_prompt,
+        outputs=[result_image, analysis, prompt_sent, generated_code]
+    )
 
 if __name__ == "__main__":
     iface.launch()