JSME_ipywidget

JSME Molecule Editor ipywidget for jupyter notebook.

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

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)

Name		Name	Last commit message	Last commit date
Latest commit History 9 Commits
imgs		imgs
jsmewidget		jsmewidget
src		src
.coveragerc		.coveragerc
.eslintignore		.eslintignore
.eslintrc.js		.eslintrc.js
.gitignore		.gitignore
.npmignore		.npmignore
.prettierignore		.prettierignore
.prettierrc		.prettierrc
.yarnrc.yml		.yarnrc.yml
Demo_draw.ipynb		Demo_draw.ipynb
Demo_mol.ipynb		Demo_mol.ipynb
Demo_smiles.ipynb		Demo_smiles.ipynb
JSME_license.txt		JSME_license.txt
JSME_release_notes.txt		JSME_release_notes.txt
LICENSE.txt		LICENSE.txt
MANIFEST.in		MANIFEST.in
README.md		README.md
babel.config.js		babel.config.js
codecov.yml		codecov.yml
install.json		install.json
jest.config.js		jest.config.js
jsme_ipywidget.json		jsme_ipywidget.json
original_url.txt		original_url.txt
package.json		package.json
pyproject.toml		pyproject.toml
readthedocs.yml		readthedocs.yml
setup.py		setup.py
tsconfig.eslint.json		tsconfig.eslint.json
tsconfig.json		tsconfig.json
webpack.config.js		webpack.config.js