PyRank

Machine Learning Force Field Python Packages

Python packages with the GitHub topic machine-learning-force-field. Sorted by relevance, with stars and monthly downloads.
microsoft
mattersim

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

99K 570 91
tysours
dpmdtools

DPTools: CLI toolkit and python library for working with deepmd-kit.

541 10 3
usnistgov
chipsff

CHIPSFF: A force field analysis toolkit

143 13 0