PyRank

Machine Learning Potential Python Packages

Python packages with the GitHub topic machine-learning-potential. Sorted by monthly downloads, with stars and forks.
deepmodeling
deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

28K 2K 659
deepmodeling
deepmd-kit-cu11

A deep learning package for many-body potential energy representation and molecular dynamics

340 2K 659