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igashov
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Parent(s):
c95aee1
header
Browse files
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():
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