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1. ACEpotentials.jl ACEpotentials.jl Public

   Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

   Julia 64 18

2. mace mace Public

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

   Python 948 349

3. ACEhamiltonians.jl ACEhamiltonians.jl Public

   Julia 17 7

4. mace-jax mace-jax Public

   Equivariant machine learning interatomic potentials in JAX.

   Python 79 17

5. EquivariantTensors.jl EquivariantTensors.jl Public

   Tools to Build Equivariant Tensors

   Julia 5

6. mace-layer mace-layer Public

   Higher order equivariant graph neural networks for 3D point clouds

   Python 45 13