JSME_ipywidget

July 5, 2025 ยท View on GitHub

JSME Molecule Editor ipywidget for jupyter notebook.

This ipywidget can draw a molecule with JSME Molecule Editor and get its SMILES in jupyter notebook.

demo image demo image demo image demo image demo image

How to run

Jupyter Notebook changed in secure, cannot load javascript directly, need to install package as plugin.

Install Jupyter Notebook and install plugin

# needs nodejs
conda install nodejs
# or other install option

# install plugin
pip install git+https://github.com/lithium0003/JSME_ipywidget

then open Demo_draw.ipynb (or Demo_smiles.ipynb, Demo_mol.ipynb)