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app.py
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import gradio as gr
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def update(smiles):
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x = (
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"""<!DOCTYPE html>
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<html>
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<head>
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<meta charset="utf-8">
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<meta name="viewport" content="width=device-width, initial-scale=1">
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</head>
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<body>
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<img data-smiles="OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1"
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data-smiles-options="{ 'width': 800, 'height': 800 }" />
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<script type="text/javascript" src="https://unpkg.com/smiles-drawer@2.0.1/dist/smiles-drawer.min.js"></script>
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<script>
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SmiDrawer.apply();
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</script>
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</body>
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</html>
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"""
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)
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return f"""<iframe style="width: 800px; height: 800px" name="result" allow="midi; geolocation; microphone; camera;
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display-capture; encrypted-media;" sandbox="allow-modals allow-forms
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allow-scripts allow-same-origin allow-popups
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allow-top-navigation-by-user-activation allow-downloads" allowfullscreen=""
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allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>"""
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with gr.Blocks() as demo:
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gr.Markdown("Smiles viewer")
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with gr.Row():
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inp = gr.Textbox(label="SMILES string", placeholder="CCCC")
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out = gr.HTML()
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btn = gr.Button("Run")
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btn.click(fn=update, inputs=inp, outputs=out)
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demo.launch()
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