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https://github.com/mir-group/pair_allegro
LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
https://github.com/mir-group/pair_allegro
gpu kokkos lammps machine-learning molecular-dynamics pytorch
Last synced: about 1 month ago
JSON representation
LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
- Host: GitHub
- URL: https://github.com/mir-group/pair_allegro
- Owner: mir-group
- License: mit
- Created: 2021-08-09T17:26:51.000Z (over 3 years ago)
- Default Branch: main
- Last Pushed: 2024-10-21T23:11:23.000Z (2 months ago)
- Last Synced: 2024-10-22T10:53:30.383Z (2 months ago)
- Topics: gpu, kokkos, lammps, machine-learning, molecular-dynamics, pytorch
- Language: C++
- Homepage: https://www.nature.com/articles/s41467-023-36329-y
- Size: 354 KB
- Stars: 34
- Watchers: 9
- Forks: 8
- Open Issues: 13
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Metadata Files:
- Readme: README.md
- License: LICENSE
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