GitHub / mir-group / allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
JSON API: http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mir-group%2Fallegro
PURL: pkg:github/mir-group/allegro
Stars: 413
Forks: 58
Open issues: 4
License: mit
Language: Python
Size: 536 KB
Dependencies parsed at: Pending
Created at: over 3 years ago
Updated at: 8 days ago
Pushed at: 21 days ago
Last synced at: 4 days ago
Topics: atomistic-simulations, computational-chemistry, deep-learning, drug-discovery, force-fields, interatomic-potentials, machine-learning, materials-science, molecular-dynamics, pytorch