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Energy and force prediction on Guaranteed non-local cumulene In-Domain, nc 3-10, 13, 14 (test)

2.6Energy RMSE (meV/atom)MFN(MACE)
1.03211.61622.232.784Oct 16, 2023

Evaluation results

MethodLinks
MFN(MACE)Mechanism=Equivariant MFN2023.102.634
SpookyNetMechanism=Global attention2023.1030.8162.3
MACEMechanism=Local2023.1041.8205.6