Molecule3D
Benchmarks
TaskDatasetSOTA resultTrendResults
Molecule3D (scaffold)
0.117MAE
9
Molecule3D (random)
0.03MAE
9
Molecule3D Scaffold Split (test)
0.341D-MAE
8
Molecule3D Scaffold Split (val)
0.335D-MAE
8
Molecule3D Random Split (test)
0.376D-MAE
8
Molecule3D Random Split (val)
0.374D-MAE
8
Molecule3D (scaffold)
0.118MAE
5
Molecule3D (random)
0.03MAE
5