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ResearchFormerly WizWand

Molecular Prediction on MUV 100-shot (test)

0.67ROC-AUCGPF-plus
0.5340720.5693610.604650.639939Sep 30, 2022
Updated 8mo ago

Evaluation results

MethodLinks
GPF-plusPre-training Strategy=Infomax2022.090.67
GPFPre-training Strategy=Infomax2022.090.6652
GPF-plusPre-training Strategy=AttrMasking2022.090.6647
GPF-plusPre-training Strategy=ContextPred2022.090.6589
FTPre-training Strategy=Infomax2022.090.6588
GPFPre-training Strategy=ContextPred2022.090.658
GPFPre-training Strategy=AttrMasking2022.090.6558
GPFPre-training Strategy=EdgePred2022.090.6547
GPF-plusPre-training Strategy=EdgePred2022.090.6537
FTPre-training Strategy=AttrMasking2022.090.649
FTPre-training Strategy=ContextPred2022.090.6487
FTPre-training Strategy=EdgePred2022.090.6432
GPF-plusPre-training Strategy=GCL2022.090.5568
GPFPre-training Strategy=GCL2022.090.5406
FTPre-training Strategy=GCL2022.090.5393