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Runtime error
Vaishnav14220
commited on
Commit
·
904862a
1
Parent(s):
820ef75
Make 3D SDF download button more visible with better labels
Browse files
app.py
CHANGED
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@@ -103,7 +103,14 @@ def name_to_3d_molecule(name: str) -> tuple:
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<p><strong>SMILES:</strong> {canonical_smiles}</p>
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<img src="data:image/png;base64,{img_str}" style="max-width: 100%; border: 1px solid #ddd; border-radius: 8px; padding: 10px; background: white;">
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<p style="margin-top: 10px; color: #666;">2D Structure Preview</p>
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</div>
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"""
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@@ -156,13 +163,13 @@ tpsa_interface = gr.Interface(
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molecule_3d_interface = gr.Interface(
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fn=name_to_3d_molecule,
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inputs=gr.Textbox(label="Chemical Name", placeholder="e.g., benzene, aspirin, caffeine"),
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outputs=[
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gr.HTML(label="
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gr.File(label="Download 3D SDF File")
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],
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api_name="name_to_molecule",
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description="
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cache_examples=False,
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)
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<p><strong>SMILES:</strong> {canonical_smiles}</p>
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<img src="data:image/png;base64,{img_str}" style="max-width: 100%; border: 1px solid #ddd; border-radius: 8px; padding: 10px; background: white;">
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<p style="margin-top: 10px; color: #666;">2D Structure Preview</p>
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<div style="margin-top: 20px; padding: 15px; background-color: #d4edda; border: 2px solid #28a745; border-radius: 8px;">
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<p style="color: #155724; font-size: 16px; font-weight: bold; margin: 0;">
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✓ 3D SDF File Generated Successfully!
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</p>
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<p style="color: #155724; margin: 5px 0 0 0;">
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Scroll down to download the 3D SDF file with optimized coordinates
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</p>
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</div>
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</div>
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"""
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molecule_3d_interface = gr.Interface(
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fn=name_to_3d_molecule,
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inputs=gr.Textbox(label="Chemical Name", placeholder="e.g., benzene, aspirin, caffeine, glucose"),
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outputs=[
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gr.HTML(label="2D Preview"),
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gr.File(label="📥 Download 3D SDF File (with optimized 3D coordinates)")
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],
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api_name="name_to_molecule",
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description="Get 2D structure preview and download 3D SDF file with optimized molecular coordinates. The SDF file can be opened in PyMOL, Avogadro, ChimeraX, or other molecular viewers.",
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cache_examples=False,
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)
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