MD17
Benchmarks
Task NameDataset NameSOTA ResultTrendResults
rMD17 5-Task Mix
216.55Training Time (s)
2
rMD17 Ethanol + Malonaldehyde + Aspirin revised
79.41Training Time (s)
2
rMD17 Aspirin + Uracil revised
44.66Training Time (s)
2
Revised MD17
8.88Azobenzene Prediction Error
2
rMD17 5-Task Mix
2,969.44Joint FT (s)
1
Revised MD17 CCSD CCSD(T) (test)
0.068MAE Energy (Aspirin) [kcal/mol]
1