ACEsuit/ACEpotentials.jl

Julia Library for Interatomic Potentials

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

GRACE models and gracemaker (as implemented in TensorPotential package)

An open-source Python package for creating fast and accurate interatomic potentials.

Equivariant machine learning interatomic potentials in JAX.

SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.

NequIP is a code for building E(3)-equivariant interatomic potentials

Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)