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

2Energy RMSE (meV/atom)MFN(MACE)
0.43610.99321.5532.107Oct 16, 2023

Evaluation results

MethodLinks
MFN(MACE)Mechanism=Equivariant MFN2023.10231.7
SpookyNetMechanism=Global attention2023.1031.4114.1
MACEMechanism=Local2023.1041.1179.6