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Machine Learning Interatomic Potentials Python Packages

Python packages with the GitHub topic machine-learning-interatomic-potentials. Sorted by monthly downloads, with stars and forks.
stfc
janus-core

Tools for machine learnt interatomic potentials

7K 51 18
molssi-ai
xnns

Neural network interatomic potentials for chemistry and materials science

4K 0 0
stfc
aiida-mlip

machine learning interatomic potentials aiida plugin

1K 26 14
stfc
janus-core-ux

Tools for machine learnt interatomic potentials

810 51 18
ddmms
ml-peg

ML Performance and Extrapolation Guide (reference deployment https://ml-peg.stfc.ac.uk)

731 68 58
    • Original data from PyPI, GitHub, and OSV; downloads served through ClickHouse
    • Sources & methodology