better GUI with gpt

app.py

@@ -36,40 +36,47 @@ This app generates SMILES strings from images of molecules ball-and-stick models
 col1, col2 = st.columns(2)
 gen_strategy = col1.selectbox("Select a generative strategy", ("Beam Search", "Sampling", "Greedy Search"))
 temp = col2.slider("Temperature", 0.0, 2.0, 1.0)
-uploaded_file = st.file_uploader("Upload an image", type=["png", "jpg", "jpeg", "webp", "heic"])
 
-lib = st.columns(2)
-lib[0].markdown("Do not have an image? You can select a molecule from the library below.")
-from_library = lib[1].button("Select from Library")
-if from_library:
-    lib_modal()
 
-col1, col2 = st.columns(2)
-if not "uploaded_file" in st.session_state:
+mode = st.radio("Select file source:", ["Upload File", "Choose from Our Demo Library"])
+if mode == "Upload File":
+    st.session_state.pop("uploaded_file", None)
+    uploaded_file = st.file_uploader("Upload an image", type=["png", "jpg", "jpeg", "webp", "heic"])
     col1.checkbox("Contribute To Public Library", value=True, help="If checked, images will be included in the PUBLIC library, and the image will be reviewed by our team and used for model training. When checked, do not upload any sensitive or personal data.")
 else:
-    col1.checkbox("Contribute To Public Library", value=False, disabled=True, help="When using the library, this option is disabled. If you want to contribute to the library, please upload an image.")
+    uploaded_file = None
+    from_library = st.button("Select from Library")
+    if from_library:
+        lib_modal()
+    if "uploaded_file" in st.session_state:
+        st.markdown("You have selected: {}".format(st.session_state.uploaded_file))
 
 
-button = col2.button("Submit")
+button = st.button("Submit")
 if button:
     if uploaded_file:
         start_time = time.time()
         image = Image.open(uploaded_file)
+    elif "uploaded_file" in st.session_state:
+        start_time = time.time()
+        image = Image.open("lib/{}".format(st.session_state.uploaded_file))
+    else:
+        st.error("Please upload an image or select from the library.")
+        st.stop()
+   
+    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]
 
-        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]
-            col.markdown(name)
-            m = Chem.MolFromSmiles(smiles)
-            img = Draw.MolToImage(m)
-            col.image(img, use_container_width=False)
-            pubchem_url = "https://pubchem.ncbi.nlm.nih.gov/compound/{}".format(cid[0].cid)
-            col.markdown("[PubChem]({})".format(pubchem_url))     
+    for i, (smiles, col) in enumerate(zip(options, cols)):
+        cid = pcp.get_compounds(smiles, 'smiles')
+        name = cid[0].synonyms[0]
+        col.markdown(f"### {name}")
+        m = Chem.MolFromSmiles(smiles)
+        img = Draw.MolToImage(m)
+        col.image(img, use_container_width=False)
+        pubchem_url = "https://pubchem.ncbi.nlm.nih.gov/compound/{}".format(cid[0].cid)
+        col.markdown("[PubChem]({})".format(pubchem_url))     
 
-        st.markdown("---")
-        st.markdown("Taken {} seconds".format(round(time.time() - start_time, 2)))
+    st.markdown("---")
+    st.markdown("Taken {} seconds".format(round(time.time() - start_time, 2)))