GitHub / mir-group / pair_nequip_allegro
LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
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Stars: 41
Forks: 8
Open issues: 6
License: mit
Language: C++
Size: 278 KB
Dependencies parsed at: Pending
Created at: almost 4 years ago
Updated at: 20 days ago
Pushed at: 20 days ago
Last synced at: 18 days ago
Topics: gpu, kokkos, lammps, machine-learning, molecular-dynamics, pytorch
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