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Energy and Force Prediction on Revised MD17 Naphthalene (test)

0.9EnergyNequIP
0.1720.3610.550.739Jun 10, 2023

Evaluation results

MethodLinks
NequIP2023.060.91.3
MACE2023.060.51.6
TensorNetLayers=1L, Parameters=535k2023.060.31.9
TensorNetLayers=2L, Parameters=770k2023.060.21.6
Allegro2023.060.20.9
BOTNet2023.060.21.8