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Machine Learning Interatomic Potentials Python Packages

Python packages with the GitHub topic machine-learning-interatomic-potentials. Sorted by relevance, with stars and monthly downloads.
milevevvvv
rapmat

TUI tool for rapid crystal structure prediction using MLIPs

11K 3 0
stfc
janus-core

Tools for machine learnt interatomic potentials

6K 49 18
ddmms
ml-peg

ML Performance and Extrapolation Guide

1K 49 47
stfc
aiida-mlip

machine learning interatomic potentials aiida plugin

1K 26 12
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