search

CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
https://doi.org/10.1038/s42256-023-00716-3
Other
226 stars 61 forks source link

Publish to PyPI #29

Closed janosh closed 1 year ago

janosh commented 1 year ago

This PR prepares the first PyPI release of CHGNet. 🎉