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Update app.py
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app.py
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@@ -3,13 +3,25 @@ import os
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import sys
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def generate(input_file):
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try:
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path = input_file.name
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except:
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return 'Error
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return 'Success!'
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demo = gr.Blocks()
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@@ -17,12 +29,14 @@ 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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gr.
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button = gr.Button('Generate Linker!')
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gr.Markdown('
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visualization = gr.HTML()
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button.click(
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import sys
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HTML_TEMPLATE = '''<!DOCTYPE html>
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<html>
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<head>
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</head>
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<body>
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<h1>Result:</h1>
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{content}
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</body>
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</html>
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'''
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def generate(input_file):
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try:
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path = input_file.name
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except:
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return HTML_TEMPLATE.format(content='Error: could not open the provided file')
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return HTML_TEMPLATE.format(content=f'Success! File={}'.format(path))
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demo = gr.Blocks()
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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 .mol or .sdf format')
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input_file = gr.File(file_count='single', label='Input fragments in .mol2 or .sdf format')
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button = gr.Button('Generate Linker!')
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gr.Markdown('')
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visualization = gr.HTML()
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button.click(
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