columns

app.py

@@ -4,20 +4,29 @@ import numpy as np
 import pubchempy as pcp
 from rdkit import Chem
 from rdkit.Chem import Draw
+import time
 
-st.title("Image Average Pixel Calculator")
-dropdown = st.selectbox("Select a generative strategy", ("Beam Search", "Sampling", "Greedy Search"))
+st.title("3D2SMILES")
+col1, col2 = st.columns(2)
+gen_strategy = col1.selectbox("Select a generative strategy", ("Beam Search", "Sampling", "Greedy Search"))
+model = col2.selectbox("Select a model", ("V1", "V2"))
 uploaded_file = st.file_uploader("Upload an image", type=["png", "jpg", "jpeg"])
 if uploaded_file:
+    start_time = time.time()
     image = Image.open(uploaded_file)
 
-    
-    for i, smiles in enumerate(["CC(=O)OC1=CC=CC=C1C(=C)C(=O)O", "CC(=O)OC1=CC=CC=C1C(=C)C(=O)O"]):
+    options = ["CC(=O)OC1=CC=CC=C1C(=C)C(=O)O", "CC(=O)", "CC(=O)O", "CC(=O)C", "CC(=O)C1=CC=CC=C1"]
+    grid = [st.columns(2) for _ in range(len(options) // 3 + 1)]
+    cols = [col for row in grid for col in row]
+
+    for i, (smiles, col) in enumerate(zip(options, cols)):
         cid = pcp.get_compounds(smiles, 'smiles')
         name = cid[0].synonyms[0]
-        st.markdown("## Option {}: {}".format(i, name))
+        col.markdown("## Option {}: {}".format(i + 1, name))
         m = Chem.MolFromSmiles(smiles)
         img = Draw.MolToImage(m)
-        st.image(img, use_container_width=False)
+        col.image(img, use_container_width=False)
         pubchem_url = "https://pubchem.ncbi.nlm.nih.gov/compound/{}".format(cid[0].cid)
-        st.markdown("[PubChem Link]({})".format(pubchem_url))
+        col.markdown("[PubChem Link]({})".format(pubchem_url))
+    st.markdown("---")
+    st.markdown("Taken {} seconds".format(round(time.time() - start_time, 2)))