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app.py

@@ -81,7 +81,9 @@ def save_interesting_log(smiles, properties, suggested_properties):
         }
         writer.writerow(log_data)
 
+@spaces.GPU
 def generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps):
+    print('in generate_graph')
     model, device = model_state
     
     properties = [CH4, CO2, H2, N2, O2]
@@ -94,7 +96,7 @@ def generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_ti
     nan_message = "The following gas properties were treated as NaN: "
     nan_gases = [gas for gas, prop in zip(all_properties, properties) if prop is None]
     nan_message += ", ".join(nan_gases) if nan_gases else "None"
-    
+
     num_nodes = None if num_nodes == 0 else num_nodes
     
     for _ in range(repeating_time):
@@ -172,8 +174,8 @@ def numpy_to_python(obj):
     else:
         return obj
         
-@spaces.GPU
 def on_generate(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps):
+    print('in on_generate', on_generate)
     result = generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps)
     # Check if the generation was successful
     if result[0].startswith("**Generated polymer SMILES:**"):