Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE

Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE

14 April 2025

Franco Pellegrini

Jenna A. Bilbrey

Maximilian Stadler

Markus Hoehnerbach

E. Küçükbenli

Henry W Sprueill

Justin S. Smith

Ponnuswamy Sadayappan

Sutanay Choudhury

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