FreeSolv
Benchmarks
TaskDatasetSOTA resultTrendResults
FreeSolv
0.825RMSE
45
FreeSolv
0.796RMSE
33
FreeSolv (test)
0.684RMSE
29
FreeSolv
2.43Alpha (α)
20
FreeSolv
0.705R^2
20
FreeSolv (scaffold)
1.877RMSE
19
FreeSolv random 6:2:2 (test)
1.523RMSE
17
FreeSolv MoleculeNet
1.48RMSE
17
FreeSolv (train-test)
1.2RMSE
8
FreeSolv
0.68MAE
7
FreeSolv
0.58Final HV
6
FreeSolv Small-dataset (CliffSplit)
0.448Q1 Score
5
FreeSolv (random split)
0.941RMSE
5
FreeSolv N=642 (id)
1.54MAE
4
FreeSolv MoleculeNet
0.98R2
4
FreeSolv canonical (train)
2.5Final Best Mean
3