NequIP
github.com/mir-group/nequipE(3)-equivariant neural network interatomic potentials achieving DFT accuracy with up to 1000× less training data than invariant models, foundational architecture behind MACE and Allegro (Harvard, MIT, Nature Communications 2022)
Sourced from
- Awesome AI for Science — github.com/mir-group/nequip
- GitHub — github.com/mir-group/nequip
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