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Energy and force prediction on Guaranteed non-local cumulene Out-of-Domain nc 15 16 (test)

2.6Energy RMSE (meV/atom)MFN(MACE)
1.7687.3841318.616Oct 16, 2023

Evaluation results

MethodLinks
MFN(MACE)Mechanism=Equivariant MFN2023.102.637.7
MACEMechanism=Local2023.101277.1
SpookyNetMechanism=Global attention2023.1023.487.6