xnn.gnn.models

Modules

allegro	Allegro (Musaelian et al. 2023): strictly local equivariant potential.
base	Shared bases for the GNN potentials (NequIP / MACE / Allegro / CACE).
blocks	Shared E(3)-equivariant building blocks (e3nn) for the GNN potentials.
cace	CACE (Cheng 2024): Cartesian Atomic Cluster Expansion potential.
mace	MACE (Batatia et al. 2022): higher body-order equivariant message passing.
mace_foundation	Load pretrained MACE foundation models into the xnn MACE.
nequip	NequIP (Batzner et al. 2022): E(3)-equivariant message-passing potential.