research
∙
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...
share
research
∙
10/09/2022
Hyperactive Learning (HAL) for Data-Driven Interatomic Potentials
Data-driven interatomic potentials have emerged as a powerful class of s...
research
∙
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 ...
research
∙
05/13/2022