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ResearchFormerly WizWand

Regression on FreeSolv (scaffold)

1.877RMSEGEM
1.818082.215792.61353.01121Apr 10, 2023May 2, 2023May 25, 2023Jun 17, 2023Jul 10, 2023Aug 2, 2023Aug 25, 2023
Updated 8mo ago

Evaluation results

MethodLinks
GEMSplit=scaffold2023.041.877
SYN-FUSION MolCLRMolecules=642, Tasks=12023.082.08
D-MPNNSplit=scaffold2023.042.082
RFMolecules=642, Tasks=12023.082.1
KPGTSplit=scaffold2023.042.121
D-MPNNMolecules=642, Tasks=12023.082.18
MolCLRSplit=scaffold2023.042.2
GINMolecules=642, Tasks=12023.082.76
GINSplit=scaffold2023.042.76
SELFormerSplit=scaffold2023.042.797
MolCLR_GINMolecules=642, Tasks=12023.082.81
Hu et al.Molecules=642, Tasks=12023.082.83
Hu et al.Split=scaffold2023.042.83
GCNMolecules=642, Tasks=12023.082.87
GCNSplit=scaffold2023.042.87
SYN-FUSION Hu et. alMolecules=642, Tasks=12023.083.13
SVMMolecules=642, Tasks=12023.083.14
SchNetSplit=scaffold2023.043.22
MGCNSplit=scaffold2023.043.35