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ResearchFormerly WizWand

Molecular Property Prediction on SIDER (test)

0.807ROC-AUCMGSSL (BFS)
0.5382640.6080320.67780.747568Oct 3, 2021May 6, 2022Dec 7, 2022Jul 10, 2023Feb 10, 2024Sep 12, 2024Apr 15, 2025
Updated 5mo ago

Evaluation results

MethodLinks
MGSSL (BFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.100.807
MGSSL (DFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.100.797
Attribute maskingBackbone=GIN, Evaluation Protocol=Fine-tuning2021.100.775
GroverBackbone=GIN, Evaluation Protocol=Fine-tuning2021.100.769
GPT-GNNBackbone=GIN, Evaluation Protocol=Fine-tuning2021.100.749
GCCBackbone=GIN, Evaluation Protocol=Fine-tuning2021.100.732
InfomaxBackbone=GIN, Evaluation Protocol=Fine-tuning2021.100.73
GPFPre-training Strategy=AttrMasking2022.090.6913
SUPThardPre-training Strategy=AttrMasking2024.020.6882
SUPTsoftPre-training Strategy=AttrMasking2024.020.6868
GPF-plusPre-training Strategy=AttrMasking2022.090.6865
GPF-plusPre-training Strategy=AttrMasking2024.020.6853
GPFPre-training Strategy=AttrMasking2024.020.6819
GPF-plusPre-training Strategy=EdgePred2022.090.6751
GPFPre-training Strategy=EdgePred2022.090.672
SUPTsoftPre-training Strategy=EdgePred2024.020.6695
GPF-plusPre-training Strategy=ContextPred2022.090.6694
SUPThardPre-training Strategy=EdgePred2024.020.6685
FTPre-training Strategy=AttrMasking2022.090.6677
FTPre-training Strategy=AttrMasking2024.020.6677
GPFPre-training Strategy=EdgePred2024.020.6671
GPF-plusPre-training Strategy=EdgePred2024.020.6661
SUPTsoftPre-training Strategy=ContextPred2024.020.6648
SUPThardPre-training Strategy=ContextPred2024.020.6637
GPF-plusPre-training Strategy=ContextPred2024.020.6632
GPFPre-training Strategy=ContextPred2022.090.6618
GPFPre-training Strategy=Infomax2022.090.6617
GPF-plusPre-training Strategy=Infomax2024.020.6589
SUPTsoftPre-training Strategy=Infomax2024.020.6588
SUPThardPre-training Strategy=Infomax2024.020.6578
GPFPre-training Strategy=Infomax2024.020.6564
GPF-plusPre-training Strategy=Infomax2022.090.6562
GPFPre-training Strategy=ContextPred2024.020.6531
FTPre-training Strategy=ContextPred2022.090.6445
FTPre-training Strategy=ContextPred2024.020.6445
FTPre-training Strategy=EdgePred2022.090.6435
FTPre-training Strategy=EdgePred2024.020.6435
GIT-MolInput Modality=Graph + SMILES2023.080.634
FTPre-training Strategy=Infomax2022.090.6334
FTPre-training Strategy=Infomax2024.020.6334
MoleBERT+RWSEBackbone=MoleBERT, SE=RWSE2025.040.631
MoleBERT+GFSEBackbone=MoleBERT, SE=GFSE2025.040.631
SUPTsoftPre-training Strategy=GCL2024.020.6284
Mole-BERT2023.080.628
MoleBERTBackbone=MoleBERT, Training=Pre-trained2025.040.628
SUPThardPre-training Strategy=GCL2024.020.6251
GPF-plusPre-training Strategy=GCL2022.090.6237
GraphMAE+GFSEBackbone=GraphMAE, SE=GFSE2025.040.621
GPS+GFSEBackbone=GPS, SE=GFSE2025.040.618
SSP2025.040.617
GPF-plusPre-training Strategy=GCL2024.020.6157
GPFPre-training Strategy=GCL2022.090.6126
GraphLoG2025.040.612
GPFPre-training Strategy=GCL2024.020.61
GPPT (w/o ol)Pre-training Strategy=EdgePred2022.090.6094
GPPTw/o olPre-training Strategy=EdgePred2024.020.6094
GINE+GFSEBackbone=GINE, SE=GFSE2025.040.609
GraphCL2025.040.608
FTPre-training Strategy=GCL2022.090.6063
FTPre-training Strategy=GCL2024.020.6063
MoMu2023.080.605
GPS+LapPEBackbone=GPS, SE=LapPE2025.040.605
GraphMAE+RWSEBackbone=GraphMAE, SE=RWSE2025.040.605
GraphMVP2023.080.602
GIT-MolInput Modality=SMILES2023.080.601
GINE+GPSEBackbone=GINE, SE=GPSE2025.040.601
KV-PLM2023.080.598
GraphCL2023.080.598
GraphMAEBackbone=GraphMAE, Training=Pre-trained2025.040.598
GraphPromptPre-training Strategy=EdgePred2022.090.5871
GraphPromptPre-training Strategy=EdgePred2024.020.5871
GINEBackbone=GINE, Training=from-scratch2025.040.586
GPSBackbone=GPS, Training=from-scratch2025.040.586
GINE+RWSEBackbone=GINE, SE=RWSE2025.040.584
No pretrainBackbone=GIN, Evaluation Protocol=Fine-tuning2021.100.582
GIT-MolInput Modality=Graph2023.080.582
GINE+LapPEBackbone=GINE, SE=LapPE2025.040.572
GPS+GPSEBackbone=GPS, SE=GPSE2025.040.566
GPS+RWSEBackbone=GPS, SE=RWSE2025.040.564
GPPTPre-training Strategy=EdgePred2022.090.5486
GPPTPre-training Strategy=EdgePred2024.020.5486