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Energy and Force Prediction on MD17 Paracetamol Revised (test)

1.3EnergyTensorNet
1.2921.3461.41.454Jun 10, 2023

Evaluation results

MethodLinks
TensorNetLayers=2L, Parameters=770k2023.061.35.9
BOTNet2023.061.35.8
MACE2023.061.34.8
NequIP2023.061.45.9
TensorNetLayers=1L, Parameters=535k2023.061.56.9
Allegro2023.061.54.9