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app.py
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@@ -54,7 +54,7 @@ def random_properties():
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def load_model(model_choice):
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device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
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model = load_graph_decoder(
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return (model, device)
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# Create a flagged folder if it doesn't exist
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@@ -106,6 +106,10 @@ def generate_graph(CH4, CO2, H2, N2, O2, guidance_scale, num_nodes, repeating_ti
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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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def load_model(model_choice):
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device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
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model = load_graph_decoder(path=model_choice)
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return (model, device)
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# Create a flagged folder if it doesn't exist
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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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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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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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