Software for NequIP Infrastructure Paper

Zip files of the code used in the NequIP infrastructure paper (https://arxiv.org/abs/2504.16068) corresponding to the releases: nequip v0.7.0 (https://github.com/mir-group/nequip/releases/tag/v0.7.0) allegro v0.4.0 (https://github.com/mir-group/allegro/releases/tag/v0.4.0) pair_nequip_allegro v0.7.0 (https://github.com/mir-group/pair_nequip_allegro/releases/tag/v0.7.0) Up to date versions of the code can be found at their respective GitHub repositories: nequip: https://github.com/mir-group/nequip allegro: https://github.com/mir-group/allegro pair_nequip_allegro: https://github.com/mir-group/pair_nequip_allegro