Scaling the Leading Accuracy of Deep Equivariant Models to Biomolecular Simulations of Realistic Size

Boris Kozinsky, Albert Musaelian, Anders Johansson, Simon L. Batzner. Scaling the Leading Accuracy of Deep Equivariant Models to Biomolecular Simulations of Realistic Size. In Dorian Arnold, Rosa M. Badia, Kathryn M. Mohror, editors, Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, SC 2023, Denver, CO, USA, November 12-17, 2023. ACM, 2023. [doi]

Abstract

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