igashov commited on
Commit
52e7c95
1 Parent(s): c95aee1
Files changed (1) hide show
  1. app.py +7 -0
app.py CHANGED
@@ -183,6 +183,13 @@ def generate(input_file, n_steps):
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  demo = gr.Blocks()
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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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  with gr.Box():
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  with gr.Row():
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  with gr.Column():
 
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  demo = gr.Blocks()
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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('[*Paper*](https://arxiv.org/abs/2210.05274) [*Code*](https://github.com/igashov/DiffLinker)')
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+ gr.Markdown(
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+ 'Given a set of disconnected fragments in 3D, '
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+ 'DiffLinker places missing atoms in between and designs a molecule incorporating all the initial fragments. '
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+ 'Our method can link an arbitrary number of fragments, requires no information on the attachment atoms '
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+ 'and linker size, and can be conditioned on the protein pockets.'
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+ )
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  with gr.Box():
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  with gr.Row():
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  with gr.Column():