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Ana Sanchez
commited on
Commit
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a402a05
1
Parent(s):
d40a7fd
Update app
Browse files
app.py
CHANGED
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@@ -411,8 +411,8 @@ def molecules_from_image():
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print((top_probs, top_labels))
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def images_from_molecule():
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st.markdown("Enter a query molecule in [SMILES](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system) format",)
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smiles = st.text_input("", value="CC(=O)OC1=CC=CC=C1C(=O)O", placeholder="CC(=O)OC1=CC=CC=C1C(=O)O")
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if smiles:
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smiles = [smiles]
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morgan = [morgan_from_smiles(s) for s in smiles]
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print((top_probs, top_labels))
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def images_from_molecule():
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#st.markdown("Enter a query molecule in [SMILES](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system) format",)
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smiles = st.text_input("Enter a query molecule in [SMILES](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system) format", value="CC(=O)OC1=CC=CC=C1C(=O)O", placeholder="CC(=O)OC1=CC=CC=C1C(=O)O")
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if smiles:
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smiles = [smiles]
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morgan = [morgan_from_smiles(s) for s in smiles]
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