Update app.py
Browse files
app.py
CHANGED
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@@ -75,11 +75,11 @@ def parse_mol(output_json):
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for i, mol in enumerate(molecules_list):
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smiles = mol.get("smiles", "Unknown")
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label = mol.get("label", f"Mol {i+1}")
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-
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# 可自定义格式
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mol_output = f"<b>Molecule:</b> {label}<br>" \
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f" SMILES: <span style='color:blue'>{smiles}</span><br>" \
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f"
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detailed_output.append(mol_output)
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smiles_output.append(smiles)
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return detailed_output, smiles_output
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@@ -222,7 +222,7 @@ with gr.Blocks() as demo:
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try:
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mol = Chem.MolFromSmiles(smiles_clean)
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if mol:
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img =
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img_file = f"mol_{i}.png"
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img.save(img_file)
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components.append(gr.Image(value=img_file, label=f"RDKit Image of Molecule {i}"))
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for i, mol in enumerate(molecules_list):
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smiles = mol.get("smiles", "Unknown")
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label = mol.get("label", f"Mol {i+1}")
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+
bbox = mol.get("bbox", [])
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# 可自定义格式
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mol_output = f"<b>Molecule:</b> {label}<br>" \
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f" SMILES: <span style='color:blue'>{smiles}</span><br>" \
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f" bbox: {bbox}<br><br>"
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detailed_output.append(mol_output)
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smiles_output.append(smiles)
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return detailed_output, smiles_output
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try:
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mol = Chem.MolFromSmiles(smiles_clean)
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if mol:
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img = Draw.MolToImage(mol, size=(350, 150))
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img_file = f"mol_{i}.png"
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img.save(img_file)
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components.append(gr.Image(value=img_file, label=f"RDKit Image of Molecule {i}"))
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