Allegro
github.com/mir-group/allegroHighly scalable equivariant deep learning interatomic potentials enabling million-atom molecular dynamics simulations with ab initio accuracy, building on E(3)-equivariant architectures for large-scale atomistic modeling (mir-group, MIT License, 480+ stars)
Sourced from
- Awesome AI for Science — github.com/mir-group/allegro
- GitHub — github.com/mir-group/allegro
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