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Train for Accuracy, Execute at Scale: Architecture-Preserving Inference for Equivariant Atomistic Foundation Models

Fu, Lei et al.
arXiv (All) · Papers
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materials-science
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 pretr
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