reformulate
Browse files
app.py
CHANGED
@@ -61,7 +61,7 @@ def predict_dti():
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mol_col1, mol_col2 = st.columns(2)
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with mol_col1:
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-
smiles = st.text_input('Enter
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if smiles:
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mol = Chem.MolFromSmiles(smiles)
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mol_img = Chem.Draw.MolToImage(mol)
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@@ -69,7 +69,7 @@ def predict_dti():
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with mol_col2:
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selected_encoder = st.selectbox(
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-
'Select encoder
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)
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if smiles:
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if selected_encoder == 'CDDD':
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mol_col1, mol_col2 = st.columns(2)
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with mol_col1:
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+
smiles = st.text_input('Enter query SMILES', 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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mol = Chem.MolFromSmiles(smiles)
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mol_img = Chem.Draw.MolToImage(mol)
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with mol_col2:
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selected_encoder = st.selectbox(
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+
'Select encoder',('None', 'CDDD', 'MolBERT', 'Dummy')
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)
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if smiles:
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if selected_encoder == 'CDDD':
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