Upload app.py with huggingface_hub
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app.py
CHANGED
@@ -80,6 +80,7 @@ def save_interesting_log(smiles, properties, suggested_properties):
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writer.writerow(log_data)
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def generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps):
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model, device = model_state
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@@ -98,15 +99,13 @@ def generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_ti
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for _ in range(repeating_time):
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try:
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model
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generated_molecule, img_list = generate_func()
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# Create GIF if img_list is available
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gif_path = None
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@@ -347,4 +346,4 @@ with gr.Blocks(title="Polymer Design with GraphDiT") as iface:
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# Launch the interface
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if __name__ == "__main__":
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# iface.launch(share=True)
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iface.launch()
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}
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writer.writerow(log_data)
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@spaces.GPU(duration=60)
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def generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_time, model_state, num_chain_steps, fps):
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model, device = model_state
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for _ in range(repeating_time):
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try:
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# def generate_func():
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# device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
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# model.to(device)
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# print('Before generation, move model to', device)
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# return generated_molecule, img_list
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# generated_molecule, img_list = generate_func()
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generated_molecule, img_list = model.generate(properties, device=device, guide_scale=guidance_scale, num_nodes=num_nodes, number_chain_steps=num_chain_steps)
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# Create GIF if img_list is available
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gif_path = None
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# Launch the interface
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if __name__ == "__main__":
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# iface.launch(share=True)
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iface.launch(share=False)
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