optional cddd embedding

app.py

@@ -46,20 +46,30 @@ def about_page():
 
 def display_dti():
     st.markdown('##')
-    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")
+    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')
     
     if smiles:
         mol = Chem.MolFromSmiles(smiles)
         mol_img = Chem.Draw.MolToImage(mol)
         col1, col2, col3 = st.columns(3)
         with col1:
-            st.write("")
+            st.write('')
         with col2:
             st.image(mol_img, width = 140)
         with col3:
-            st.write("")
+            st.write('')
         st.markdown('##')
 
+        selected_encoder = st.selectbox(
+            'Select encoder for drug compound',('None', 'CDDD')
+        )
+        if selected_encoder == 'CDDD':
+            from cddd.inference import InferenceModel
+            CDDD_MODEL_DIR = 'checkpoints/CDDD/default_model'
+            cddd_model = InferenceModel(CDDD_MODEL_DIR)
+            embedding = cddd_model.seq_to_emb([smiles])
+            st.write(f'CDDD embedding: {embedding}')
+
 
 def display_protein():
     """