Preprint
Oct 2026
Train for Accuracy, Execute at Scale: Architecture-Preserving Inference for Equivariant Atomistic Foundation Models
Equivariant atomistic foundation models provide broadly transferable interatomic potentials trained against quantum-mechanical reference data, but their repeated execution at simulation scale remains computationally and memory intensive. We present Symmetrix-XL, an inference engine that scales pretrained MACE checkpoin...
Lei Fu, Zi-Hui Feng, Yong-Heng Li et al.
· 1 citation