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05/23/2023
Evaluation of the MACE Force Field Architecture: from Medicinal Chemistry to Materials Science
The MACE architecture represents the state of the art in the field of ma...
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10/09/2022
Hyperactive Learning (HAL) for Data-Driven Interatomic Potentials
Data-driven interatomic potentials have emerged as a powerful class of s...
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06/15/2022
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
Creating fast and accurate force fields is a long-standing challenge in ...
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05/13/2022
