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Molecular Property Prediction on HIV 50-shot (test)

68.19ROC-AUCGPF-plus
59.277261.591163.90566.2189Sep 30, 2022Dec 23, 2022Mar 17, 2023Jun 9, 2023Sep 1, 2023Nov 24, 2023Feb 16, 2024

Evaluation results

MethodLinks
GPF-plusPre-training strategy=AttrMasking, Shots=502024.0268.19
GPF-plusPre-training Strategy=AttrMasking2022.0968.05
SUPTsoftPre-training strategy=AttrMasking, Shots=502024.0268.05
SUPThardPre-training strategy=AttrMasking, Shots=502024.0267.99
GPFPre-training Strategy=AttrMasking2022.0967.94
GPFPre-training strategy=AttrMasking, Shots=502024.0267.74
GPFPre-training Strategy=Infomax2022.0967.68
Fine-tuningPre-training Strategy=AttrMasking2022.0967.18
FTPre-training strategy=AttrMasking, Shots=502024.0267.18
SUPTsoftPre-training strategy=Infomax, Shots=502024.0267.04
SUPThardPre-training strategy=Infomax, Shots=502024.0267.03
GPFPre-training strategy=Infomax, Shots=502024.0266.97
GPF-plusPre-training Strategy=Infomax2022.0966.8
GPF-plusPre-training strategy=Infomax, Shots=502024.0266.71
GPFPre-training Strategy=EdgePred2022.0966.22
Fine-tuningPre-training Strategy=Infomax2022.0965.09
FTPre-training strategy=Infomax, Shots=502024.0265.09
GPFPre-training Strategy=GCL2022.0964.86
Fine-tuningPre-training Strategy=EdgePred2022.0964.22
FTPre-training strategy=EdgePred, Shots=502024.0264.22
SUPTsoftPre-training strategy=GCL, Shots=502024.0264.05
GPF-plusPre-training Strategy=GCL2022.0963.99
SUPThardPre-training strategy=GCL, Shots=502024.0263.82
SUPThardPre-training strategy=EdgePred, Shots=502024.0263.44
GPF-plusPre-training strategy=GCL, Shots=502024.0263.43
SUPTsoftPre-training strategy=EdgePred, Shots=502024.0263.25
GPF-plusPre-training strategy=EdgePred, Shots=502024.0262.85
GPFPre-training strategy=GCL, Shots=502024.0262.72
GPFPre-training strategy=EdgePred, Shots=502024.0262.32
GPF-plusPre-training Strategy=EdgePred2022.0962.05
Fine-tuningPre-training Strategy=ContextPred2022.0960.91
FTPre-training strategy=ContextPred, Shots=502024.0260.91
GPF-plusPre-training Strategy=ContextPred2022.0960.84
SUPTsoftPre-training strategy=ContextPred, Shots=502024.0260.82
SUPThardPre-training strategy=ContextPred, Shots=502024.0260.64
GPFPre-training Strategy=ContextPred2022.0960.59
GPF-plusPre-training strategy=ContextPred, Shots=502024.0260.19
Fine-tuningPre-training Strategy=GCL2022.0960.05
FTPre-training strategy=GCL, Shots=502024.0260.05
GPFPre-training strategy=ContextPred, Shots=502024.0259.62