mlff

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GAIA automates the generation of reactive MLIP datasets for atomistic simulations.

mlff mlip

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

ai dft ml chips materials-science semiconductors machine-learning-force-field mlff

Interface materials design toolkit

dft interfaces md mlff heterostructures

Library for efficient training and application of Deep Interatomic Potential Models (DIPM)

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