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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
The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
The rapid progress of machine learning interatomic potentials over the p...
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10/29/2021
DOCKSTRING: easy molecular docking yields better benchmarks for ligand design
The field of machine learning for drug discovery is witnessing an explos...
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09/25/2019
