ResearchBenchmarksEnergy and Force Prediction on rMD17 Aspirin (test)Energy and Force Prediction on rMD17 Aspirin (test)Follow2.2EnergyMACE2.182.3152.452.585Jun 10, 2023Evaluation resultsMethodMethodLinksEnergyForceMACE2023.062.26.6NequIP2023.062.38.2Allegro2023.062.37.3BOTNet2023.062.38.5TensorNetLayers=2L, Parameters=...Layers=2L, Parameters=770k2023.062.48.9TensorNetLayers=1L, Parameters=...Layers=1L, Parameters=535k2023.062.710.2