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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.

892K 551 82
tysours
dpmdtools

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

380 10 3
usnistgov
chipsff

Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093

110 9 0
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