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ResearchFormerly WizWand

Molecular Property Prediction on MUV (test)

84.67ROC-AUCSUPTsoft
61.457267.483673.5179.5364Jun 22, 2020Jun 12, 2021Jun 2, 2022May 23, 2023May 12, 2024May 2, 2025Apr 22, 2026
Updated 5mo ago

Evaluation results

MethodLinks
SUPTsoftPre-training Strategy=ContextPred2024.0284.67
SUPThardPre-training Strategy=ContextPred2024.0284.54
GPF-plusPre-training Strategy=ContextPred2022.0984.48
GPF-plusPre-training Strategy=ContextPred2024.0284.4
GPFPre-training Strategy=ContextPred2022.0984.34
GPFPre-training Strategy=ContextPred2024.0284.22
GPF-plusPre-training Strategy=EdgePred2022.0983.13
SUPTsoftPre-training Strategy=EdgePred2024.0282.95
SUPThardPre-training Strategy=EdgePred2024.0282.94
GPFPre-training Strategy=EdgePred2022.0982.86
GPF-plusPre-training Strategy=EdgePred2024.0282.74
GPFPre-training Strategy=EdgePred2024.0282.61
FTPre-training Strategy=ContextPred2022.0982.36
FTPre-training Strategy=ContextPred2024.0282.36
SPD-Sheaf2026.0482.3
SMPT2026.0482.2
GPFPre-training Strategy=AttrMasking2022.0982.17
Uni-Mol2026.0482.1
GPPT (w/o ol)Pre-training Strategy=EdgePred2022.0982.06
GPPTw/o olPre-training Strategy=EdgePred2024.0282.06
SUPTsoftPre-training Strategy=AttrMasking2024.0281.93
SUPThardPre-training Strategy=AttrMasking2024.0281.81
Hierarchical Inter-Message Passinglayers=2 or 32020.0681.8
FTPre-training Strategy=AttrMasking2022.0981.78
FTPre-training Strategy=AttrMasking2024.0281.78
GEM2026.0481.7
SUPTsoftPre-training Strategy=Infomax2024.0281.59
SUPThardPre-training Strategy=Infomax2024.0281.51
GPFPre-training Strategy=AttrMasking2024.0281.44
FTPre-training Strategy=Infomax2022.0981.42
FTPre-training Strategy=Infomax2024.0281.42
GPF-plusPre-training Strategy=Infomax2022.0981.33
PretrainGNN2026.0481.3
GPF-plusPre-training Strategy=AttrMasking2024.0281.27
GPF-plusPre-training Strategy=AttrMasking2022.0981.12
MoleBERT+GFSEBackbone=MoleBERT, SE=GFSE2025.0480.5
GPFPre-training Strategy=Infomax2022.0980.43
MoleBERT+RWSEBackbone=MoleBERT, SE=RWSE2025.0480.4
GPFPre-training Strategy=Infomax2024.0280.39
GPF-plusPre-training Strategy=Infomax2024.0279.94
NGF2020.0679.8
SSP2025.0479.8
FTPre-training Strategy=EdgePred2022.0979.67
FTPre-training Strategy=EdgePred2024.0279.67
MolCLR2026.0479.6
GIN-E2020.0679.57
MGSSL (DFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.1079.5
RP-NGF2020.0679.4
MGSSL (BFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.1078.8
MoleBERTBackbone=MoleBERT, Training=Pre-trained2025.0478.6
D-MPNN2026.0478.6
AttentiveFP2026.0478.6
GraphMAE+GFSEBackbone=GraphMAE, SE=GFSE2025.0478.1
Attribute maskingBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1077.9
GroverBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1077.8
GINE+GFSEBackbone=GINE, SE=GFSE2025.0477.7
GraphMAE+RWSEBackbone=GraphMAE, SE=RWSE2025.0477.7
GraphMVP2026.0477.7
GPT-GNNBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1077
GINE+LapPEBackbone=GINE, SE=LapPE2025.0477
N-GramClassifier=RF2026.0476.9
InfomaxBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1076.5
GINE+RWSEBackbone=GINE, SE=RWSE2025.0476.4
GraphMAEBackbone=GraphMAE, Training=Pre-trained2025.0476.3
GraphLoG2025.0476
GINE+GPSEBackbone=GINE, SE=GPSE2025.0475.8
GCCBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1075.5
No pretrainBackbone=GIN, Evaluation Protocol=Fine-tuning2021.1075.4
GINEBackbone=GINE, Training=from-scratch2025.0474.8
N-GramClassifier=XGB2026.0474.8
GraphCL2025.0474.5
GPS+GFSEBackbone=GPS, SE=GFSE2025.0473.6
GPF-plusPre-training Strategy=GCL2022.0972.94
SUPTsoftPre-training Strategy=GCL2024.0270.92
GPFPre-training Strategy=GCL2024.0270.81
SUPThardPre-training Strategy=GCL2024.0270.64
GPF-plusPre-training Strategy=GCL2024.0270.54
GPS+LapPEBackbone=GPS, SE=LapPE2025.0470.1
GPFPre-training Strategy=GCL2022.0970.09
FTPre-training Strategy=GCL2022.0969.78
FTPre-training Strategy=GCL2024.0269.78
GPS+RWSEBackbone=GPS, SE=RWSE2025.0469.7
EGNN2026.0468.6
GPS+GPSEBackbone=GPS, SE=GPSE2025.0468.3
SchNet2026.0468.2
GPSBackbone=GPS, Training=from-scratch2025.0468
Mol-GDL2026.0467.5
GROVEModel Variant=base2026.0467.3
GROVEModel Variant=large2026.0467.3
GPPTPre-training Strategy=EdgePred2022.0963.05
GPPTPre-training Strategy=EdgePred2024.0263.05
GraphPromptPre-training Strategy=EdgePred2022.0962.35
GraphPromptPre-training Strategy=EdgePred2024.0262.35