CYF200127 commited on
Commit
a1b2be0
·
verified ·
1 Parent(s): 516fa01

Update app.py

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Files changed (1) hide show
  1. app.py +3 -3
app.py CHANGED
@@ -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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- extra = mol.get("extra", "")
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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" Extra: {extra}<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
@@ -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 = MolDraw.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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  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}"))