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ResearchFormerly WizWand

Molecular Property Prediction on ClinTox (test)

88.3ROC-AUCGIT-Mol
54.052862.943971.83580.7261Oct 3, 2021Feb 24, 2022Jul 18, 2022Dec 10, 2022May 3, 2023Sep 24, 2023Feb 16, 2024
Updated 5mo ago

Evaluation results

MethodLinks
GIT-MolInput Modality=Graph + SMILES2023.0888.3
GIT-MolInput Modality=SMILES2023.0883.5
MoMu2023.0879.9
GraphMVP2023.0879.1
Mole-BERT2023.0878.9
GIT-MolInput Modality=Graph2023.0878.9
MGSSL (BFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.1078.7
MGSSL (DFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.1078.1
GraphCL2023.0877.5
SUPTsoftPre-training Strategy=AttrMasking2024.0277.36
GPF-plusPre-training Strategy=AttrMasking2022.0976.17
SUPTsoftPre-training Strategy=Infomax2024.0276.08
GroverBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1075.8
SUPThardPre-training Strategy=Infomax2024.0275.65
SUPTsoftPre-training Strategy=ContextPred2024.0275.55
GPF-plusPre-training Strategy=ContextPred2022.0975.25
SUPThardPre-training Strategy=AttrMasking2024.0275.25
FTPre-training Strategy=GCL2022.0975.17
FTPre-training Strategy=GCL2024.0275.17
GPF-plusPre-training Strategy=Infomax2022.0975.12
InfomaxBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1075.1
GPFPre-training Strategy=AttrMasking2022.0975.06
GPT-GNNBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1075
SUPThardPre-training Strategy=ContextPred2024.0274.9
Attribute maskingBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1074.7
GPFPre-training Strategy=ContextPred2022.0974.51
FTPre-training Strategy=AttrMasking2022.0974.46
FTPre-training Strategy=AttrMasking2024.0274.46
GPF-plusPre-training Strategy=AttrMasking2024.0274.17
GPFPre-training Strategy=Infomax2024.0274.14
GCCBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1074.1
GPF-plusPre-training Strategy=GCL2022.0973.9
FTPre-training Strategy=ContextPred2022.0973.71
FTPre-training Strategy=ContextPred2024.0273.71
GPF-plusPre-training Strategy=Infomax2024.0273.61
GPFPre-training Strategy=Infomax2022.0973.56
GPFPre-training Strategy=ContextPred2024.0273.15
GPF-plusPre-training Strategy=ContextPred2024.0272.73
GPFPre-training Strategy=AttrMasking2024.0272.72
GPFPre-training Strategy=GCL2022.0972.06
No pretrainBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1071.7
SUPTsoftPre-training Strategy=GCL2024.0271.21
SUPTsoftPre-training Strategy=EdgePred2024.0270.41
FTPre-training Strategy=Infomax2022.0970.06
FTPre-training Strategy=Infomax2024.0270.06
SUPThardPre-training Strategy=EdgePred2024.0269.97
GPF-plusPre-training Strategy=EdgePred2024.0269.58
GPFPre-training Strategy=EdgePred2022.0969.49
GPFPre-training Strategy=GCL2024.0269.48
SUPThardPre-training Strategy=GCL2024.0269.47
FTPre-training Strategy=EdgePred2022.0969.07
FTPre-training Strategy=EdgePred2024.0269.07
GPF-plusPre-training Strategy=GCL2024.0268.89
GPF-plusPre-training Strategy=EdgePred2022.0968.8
GPFPre-training Strategy=EdgePred2024.0267.92
GPPT (w/o ol)Pre-training Strategy=EdgePred2022.0962.15
GPPTw/o olPre-training Strategy=EdgePred2024.0262.15
GPPTPre-training Strategy=EdgePred2022.0959.81
GPPTPre-training Strategy=EdgePred2024.0259.81
GraphPromptPre-training Strategy=EdgePred2022.0955.37
GraphPromptPre-training Strategy=EdgePred2024.0255.37