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DiffLinker
Running on A10G

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igashov commited on
Commit
8d6141b
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1 Parent(s): 53f22d0

examples

Browse files
Files changed (3) hide show
  1. app.py +5 -1
  2. examples/example_1.sdf +52 -0
  3. examples/example_2.sdf +85 -0
app.py CHANGED
@@ -162,7 +162,11 @@ with demo:
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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(file_count='single', label='Input fragments')
 
 
 
 
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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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  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(file_count='single', label='Input Fragments')
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+ 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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+ )
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  button = gr.Button('Generate Linker!')
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  gr.Markdown('')
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  gr.Markdown('## Output Files')
examples/example_1.sdf ADDED
@@ -0,0 +1,52 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ example_1
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+ OpenBabel10162201143D
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+ M END
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+ $$$$
examples/example_2.sdf ADDED
@@ -0,0 +1,85 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ M END
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+ $$$$