pypi.org : nequip-allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials.
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purl: pkg:pypi/nequip-allegro
Keywords:
atomistic-simulations
, computational-chemistry
, deep-learning
, drug-discovery
, force-fields
, interatomic-potentials
, machine-learning
, materials-science
, molecular-dynamics
, pytorch
License: Other
Latest release: about 1 month ago
First release: 5 months ago
Downloads: 216,786 last month
Stars: 417 on GitHub
Forks: 59 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 1 day ago