wg25r
commited on
Commit
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f101745
1
Parent(s):
ebdad79
add option
Browse files
app.py
CHANGED
@@ -12,10 +12,10 @@ if uploaded_file:
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image = Image.open(uploaded_file)
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for smiles in ["CC=CC", "CC(=O)C"]:
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cid = pcp.get_compounds(smiles, 'smiles')
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name = cid[0].synonyms[0]
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st.markdown("## Option
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m = Chem.MolFromSmiles(smiles)
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img = Draw.MolToImage(m)
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st.image(img, use_container_width=False)
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image = Image.open(uploaded_file)
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for i, smiles in enumerate(["CC(=O)OC1=CC=CC=C1C(=C)C(=O)O", "CC(=O)OC1=CC=CC=C1C(=C)C(=O)O"]):
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cid = pcp.get_compounds(smiles, 'smiles')
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name = cid[0].synonyms[0]
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st.markdown("## Option {}: {}".format(i, name))
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m = Chem.MolFromSmiles(smiles)
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img = Draw.MolToImage(m)
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st.image(img, use_container_width=False)
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