Update app.py
Browse files
app.py
CHANGED
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@@ -188,14 +188,14 @@ def retrieval():
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st.markdown('### Target')
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st.write(f'The top-{selected_k} most active drug coupounds from {selected_dataset} predicted by HyperPCM are: ')
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'''
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col1, col2, col3, col4 = st.columns(4)
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st.markdown('### Target')
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st.write(f'The top-{selected_k} most active drug coupounds from {selected_dataset} predicted by HyperPCM are: ')
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dummy_smiles = ['CC(=O)OC1=CC=CC=C1C(=O)O', 'COc1cc(C=O)ccc1O', 'CC(=O)Nc1ccc(O)cc1', 'CC(=O)Nc1ccc(OS(=O)(=O)O)cc1', 'CC(=O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1']
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cols = st.columns(5)
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for j, col in enumerate(cols):
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with col:
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for i in range(int(selected_k/5)):
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mol = Chem.MolFromSmiles(dummy_smiles[j])
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mol_img = Chem.Draw.MolToImage(mol)
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st.image(mol_img)
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'''
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col1, col2, col3, col4 = st.columns(4)
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