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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 542 201

2. ACEsuit/mace-jax ACEsuit/mace-jax Public

   Equivariant machine learning interatomic potentials in JAX.

   Python 62 5

3. ACEsuit/mace-layer ACEsuit/mace-layer Public

   Higher order equivariant graph neural networks for 3D point clouds

   Python 33 8

4. lie-nn/lie-nn lie-nn/lie-nn Public

   Tools for building equivariant polynomials on reductive Lie groups.

   Python 26 1

5. mace-tutorials mace-tutorials Public

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

   Jupyter Notebook 39 11

6. ACEsuit/mace-mp ACEsuit/mace-mp Public

   MACE-MP models

   Shell 48 8