| import streamlit as st | |
| from PIL import Image | |
| import numpy as np | |
| import pubchempy as pcp | |
| from rdkit import Chem | |
| from rdkit.Chem import Draw | |
| st.title("Image Average Pixel Calculator") | |
| uploaded_file = st.file_uploader("Upload an image", type=["png", "jpg", "jpeg"]) | |
| if uploaded_file: | |
| image = Image.open(uploaded_file) | |
| for smiles in ["CC=CC", "CC(=O)C"]: | |
| cid = pcp.get_compounds(smiles, 'smiles') | |
| name = cid[0].synonyms[0] | |
| st.markdown("## Option 1 {}".format(name)) | |
| m = Chem.MolFromSmiles(smiles) | |
| img = Draw.MolToImage(m) | |
| st.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)) |