igashov commited on
Commit
865e932
·
1 Parent(s): 41efc4f
Files changed (1) hide show
  1. app.py +8 -9
app.py CHANGED
@@ -157,24 +157,23 @@ def generate(input_file):
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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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- visualization = gr.Variable()
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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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  gr.Markdown('## Input Fragments')
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  gr.Markdown('Upload the file with 3D-coordinates of the input fragments in .pdb, .mol2 or .sdf format:')
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  input_file = gr.File(
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- # value='examples/example_1.sdf',
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  file_count='single',
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  label='Input Fragments'
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  )
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- examples = gr.Examples(
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- examples=[['examples/example_1.sdf'], ['examples/example_2.sdf']],
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- inputs=[input_file],
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- outputs=[visualization],
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- fn=show_input,
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- run_on_click=True,
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- )
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  button = gr.Button('Generate Linker!')
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  gr.Markdown('')
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  gr.Markdown('## Output Files')
 
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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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  gr.Markdown('## Input Fragments')
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  gr.Markdown('Upload the file with 3D-coordinates of the input fragments in .pdb, .mol2 or .sdf format:')
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  input_file = gr.File(
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+ value='examples/example_1.sdf',
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  file_count='single',
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  label='Input Fragments'
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  )
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+ # examples = gr.Examples(
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+ # examples=[['examples/example_1.sdf'], ['examples/example_2.sdf']],
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+ # inputs=[input_file],
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+ # outputs=[visualization],
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+ # fn=show_input,
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+ # run_on_click=True,
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+ # )
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  button = gr.Button('Generate Linker!')
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  gr.Markdown('')
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  gr.Markdown('## Output Files')