MIR@Harvard

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1. nequip nequip Public

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

   Python 964 214

2. allegro allegro Public

   Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials

   Python 502 76

3. flare flare Public

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

   Python 362 78

4. pair_nequip_allegro pair_nequip_allegro Public

   LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials

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5. pair_nequip pair_nequip Public

   Deprecated - see `pair_nequip_allegro`

   C++ 44 14

6. allegro-pol allegro-pol Public

   Allegro-pol extends the Allegro architecture to model the electric response of materials

   Python 41 3