Upload app.py with huggingface_hub

app.py

@@ -86,9 +86,8 @@ def save_interesting_log(smiles, properties, suggested_properties):
         }
         writer.writerow(log_data)
 
-def generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps):
-    model, device = model_state
-    
+# def generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model, num_chain_steps, fps):    
+def generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, num_chain_steps, fps):    
     properties = [CH4, CO2, H2, N2, O2]
     
     def is_nan_like(x):
@@ -185,8 +184,11 @@ def numpy_to_python(obj):
         return obj
         
 @spaces.GPU(duration=60)
-def on_generate(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps):
-    result = generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps)
+def on_generate(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, num_chain_steps, fps):
+# def on_generate(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps):
+    # model = model_state
+    # result = generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model, num_chain_steps, fps)
+    result = generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, num_chain_steps, fps)
     # Check if the generation was successful
     if result[0].startswith("**Generated polymer SMILES:**"):
         smiles = result[0].split("**Generated polymer SMILES:** `")[1].split("`")[0]
@@ -281,7 +283,8 @@ with gr.Blocks(title="Polymer Design with GraphDiT") as iface:
         ```
         """)
 
-    model_state = gr.State(model_labeled)
+    # model_state = gr.State(value=model_labeled)
+    # model_state = model_labeled
 
     with gr.Row():
         CH4_input = gr.Slider(0, property_ranges['CH4'][1], value=2.5, label=f"CH₄ (Barrier) [0-{property_ranges['CH4'][1]:.1f}]")
@@ -310,18 +313,17 @@ with gr.Blocks(title="Polymer Design with GraphDiT") as iface:
         feedback_btn = gr.Button("🌟 I think this polymer is interesting!", visible=True, interactive=False)
         feedback_result = gr.Textbox(label="Feedback Result", visible=False)
     
-    # Add model switching functionality
-    def switch_model(choice):
-        # Convert display name back to internal name
-        internal_name = next(key for key, value in model_name_mapping.items() if value == choice)
-        if internal_name == 'model_labeled':
-            return model_labeled
-        elif internal_name == 'model_all':
-            return model_all
-        else:
-            raise ValueError('Not support model', internal_name)
-
-    model_choice.change(switch_model, inputs=[model_choice], outputs=[model_state])
+    # def switch_model(choice):
+    #     # Convert display name back to internal name
+    #     internal_name = next(key for key, value in model_name_mapping.items() if value == choice)
+    #     if internal_name == 'model_labeled':
+    #         return model_labeled
+    #     elif internal_name == 'model_all':
+    #         return model_all
+    #     else:
+    #         raise ValueError('Not support model', internal_name)
+
+    # model_choice.change(switch_model, inputs=[model_choice], outputs=[model_state])
 
     # Hidden components to store generation data
     hidden_smiles = gr.Textbox(visible=False)
@@ -336,7 +338,8 @@ with gr.Blocks(title="Polymer Design with GraphDiT") as iface:
 
     generate_btn.click(
         on_generate,
-        inputs=[CH4_input, CO2_input, H2_input, N2_input, O2_input, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps],
+        # inputs=[CH4_input, CO2_input, H2_input, N2_input, O2_input, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps],
+        inputs=[CH4_input, CO2_input, H2_input, N2_input, O2_input, guidance_scale, num_nodes, repeating_time, num_chain_steps, fps],
         outputs=[result_text, result_image, result_gif, hidden_smiles, hidden_properties, hidden_suggested_properties, feedback_btn]
     )