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Energy and Force Prediction on Revised MD17 Toluene (test)

0.3EnergyTensorNet
0.2920.3460.40.454Jun 10, 2023

Evaluation results

MethodLinks
TensorNetLayers=1L, Parameters=535k2023.060.32
TensorNetLayers=2L, Parameters=770k2023.060.31.7
NequIP2023.060.31.6
Allegro2023.060.41.8
BOTNet2023.060.41.9
MACE2023.060.51.5