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Energy and Force Prediction on MD17 Salicylic acid Revised (test)

0.9EnergyTensorNet
0.6920.7460.80.854Jun 10, 2023

Evaluation results

MethodLinks
TensorNetLayers=1L, Parameters=535k2023.060.95.4
Allegro2023.060.92.9
MACE2023.060.93.1
TensorNetLayers=2L, Parameters=770k2023.060.84.6
BOTNet2023.060.84.3
NequIP2023.060.74