PyRank

Machine Learning Potential Python Packages

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

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

12K 2K 611
deepmodeling
deepmd-kit-cu11

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

430 2K 611