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Runtime error
Update app.py
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app.py
CHANGED
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@@ -503,8 +503,7 @@ def generate_with_pocket(in_fragments, in_protein, n_steps, n_atoms, num_samples
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with demo:
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gr.Markdown('# DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design')
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gr.Markdown(
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'Given a set of disconnected fragments in 3D, '
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@@ -596,14 +595,13 @@ with demo:
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fn=generate,
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inputs=[input_fragments_file, input_protein_file, n_steps, n_atoms, n_samples, hidden],
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outputs=[visualization, output_files, samples, hidden],
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-
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)
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samples.select(
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fn=draw_sample,
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inputs=[samples, output_files, n_samples],
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outputs=[visualization],
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)
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demo.load(_js=output.STARTUP_JS)
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demo.launch(server_name=args.ip)
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]
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with gr.Blocks(js=output.STARTUP_JS) as demo:
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gr.Markdown('# DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design')
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gr.Markdown(
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'Given a set of disconnected fragments in 3D, '
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fn=generate,
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inputs=[input_fragments_file, input_protein_file, n_steps, n_atoms, n_samples, hidden],
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outputs=[visualization, output_files, samples, hidden],
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js=output.RETURN_SELECTION_JS,
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)
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samples.select(
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fn=draw_sample,
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inputs=[samples, output_files, n_samples],
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outputs=[visualization],
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)
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demo.launch(server_name=args.ip)
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