bjonnh / streamlit-ketcher

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🧪 Streamlit Ketcher

GitHub PyPI

Streamlit components that adds the ability to draw chemical compounds. This is a critical dependency for most drug discovery / drug design / cheminformatics applications.

It is based on Ketcher.

Installation

pip install streamlit-ketcher

Getting started

import streamlit as st

from streamlit_ketcher import st_ketcher

molecule = st.text_input("Molecule", "CCO")
smile_code = st_ketcher(molecule)
st.markdown(f"Smile code: ``{smile_code}``")

Demo

Open in Streamlit

Preview

About

License:Apache License 2.0


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