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1. ACEsuit/mace ACEsuit/mace Public

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

   Python 948 349

2. ACEsuit/mace-foundations ACEsuit/mace-foundations Public

   MACE foundation models (MP, OMAT, Matpes)

   Shell 170 15

3. ACEsuit/mace-jax ACEsuit/mace-jax Public

   Equivariant machine learning interatomic potentials in JAX.

   Python 79 17

4. ACEsuit/mace-layer ACEsuit/mace-layer Public

   Higher order equivariant graph neural networks for 3D point clouds

   Python 45 13

5. lie-nn/lie-nn lie-nn/lie-nn Public

   Tools for building equivariant polynomials on reductive Lie groups.

   Python 35 2

6. mace-tutorials mace-tutorials Public

   Collection of tutorials to use the MACE machine learning force field.

   Jupyter Notebook 50 12