emmas96 commited on
Commit
71914fa
·
1 Parent(s): f02c033

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +8 -8
app.py CHANGED
@@ -188,14 +188,14 @@ def retrieval():
188
  st.markdown('### Target')
189
 
190
  st.write(f'The top-{selected_k} most active drug coupounds from {selected_dataset} predicted by HyperPCM are: ')
191
- 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']
192
- cols = st.columns(5)
193
- for j, col in enumerate(cols):
194
- with col:
195
- for i in range(int(selected_k/5)):
196
- mol = Chem.MolFromSmiles(dummy_smiles[j])
197
- mol_img = Chem.Draw.MolToImage(mol)
198
- st.image(mol_img)
199
 
200
  '''
201
  col1, col2, col3, col4 = st.columns(4)
 
188
  st.markdown('### Target')
189
 
190
  st.write(f'The top-{selected_k} most active drug coupounds from {selected_dataset} predicted by HyperPCM are: ')
191
+ 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']
192
+ cols = st.columns(5)
193
+ for j, col in enumerate(cols):
194
+ with col:
195
+ for i in range(int(selected_k/5)):
196
+ mol = Chem.MolFromSmiles(dummy_smiles[j])
197
+ mol_img = Chem.Draw.MolToImage(mol)
198
+ st.image(mol_img)
199
 
200
  '''
201
  col1, col2, col3, col4 = st.columns(4)