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ResearchFormerly WizWand

Regression on QM8 (scaffold split)

0.0143MAED-MPNN
0.01270.02350.03430.0451Aug 25, 2023
Updated 8mo ago

Evaluation results

MethodLinks
D-MPNNMolecules=21,786, Tasks=122023.080.0143
SYN-FUSION MolCLRMolecules=21,786, Tasks=122023.080.0181
MolCLR_GINMolecules=21,786, Tasks=122023.080.0187
SYN-FUSION Hu et. alMolecules=21,786, Tasks=122023.080.0187
Hu et al.Molecules=21,786, Tasks=122023.080.0191
GCNMolecules=21,786, Tasks=122023.080.0366
GINMolecules=21,786, Tasks=122023.080.0371
RFMolecules=21,786, Tasks=122023.080.0423
SVMMolecules=21,786, Tasks=122023.080.0543