ResearchBenchmarksEnergy and Force Prediction on rMD17 Malonaldehyde (test)Energy and Force Prediction on rMD17 Malonaldehyde (test)Follow0.6Energy ErrorAllegro0.5920.6460.70.754Jun 10, 2023Evaluation resultsMethodMethodLinksEnergy ErrorForce ErrorAllegro2023.060.63.6TensorNetLayers=1L, Parameters=...Layers=1L, Parameters=535k2023.060.85.8TensorNetLayers=2L, Parameters=...Layers=2L, Parameters=770k2023.060.85.4NequIP2023.060.85.1BOTNet2023.060.85.8MACE2023.060.84.1