Facet trains an E(3)-equivariant interatomic potential on MPTrj with accuracy close to SevenNet and MACE while using under 10% of the training compute, via spline radial filters and an S2-MLP-Mixer node update.
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Facet: highly efficient E(3)-equivariant networks for interatomic potentials
Facet trains an E(3)-equivariant interatomic potential on MPTrj with accuracy close to SevenNet and MACE while using under 10% of the training compute, via spline radial filters and an S2-MLP-Mixer node update.