emmas96 commited on
Commit
818c6db
·
1 Parent(s): 3bd2944

reformulate

Browse files
Files changed (1) hide show
  1. app.py +2 -2
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 the SMILES of the query drug compound', 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)
@@ -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 for drug compound',('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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  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':