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Molecular Property Prediction on Tox21 scaffold split

77.3ROC-AUC

GraSPNet

Updated 1mo ago

Evaluation Results

Method	Links
GraSPNet 2026.02		77.3
Attr mask 2026.02		77.2
Hi-GMAE-F 2024.05		76.9
SimSGT 2026.02		76.8
Mole-BERT 2024.05		76.8
AttrMasking 2024.05		76.7
Mole-BERT 2026.02		76.6
MGSSL 2026.02		76.5
Hi-GMAE-G 2024.05		76.3
GraphMAE 2026.02		76
GraphLOG 2026.02		76
GraphMAE2 2026.02		75.9
GraphMAE2 2024.05		75.9
BGRL 2026.02		75.8
ContextPred 2024.05		75.7
GraphLog 2024.05		75.7
MAE 2026.02		75.5
GraphMAE 2024.05		75.5
GAT 2024.05		75.4
Infomax 2024.05		75.3
RGCL 2024.05		75.3
UnifiedMol 2024.05		75.2
JOAO 2024.05		75
GCN 2024.05		74.9
AD-GCL 2024.05		74.9
GraphMVP 2024.05		74.9
Infomax 2026.02		74.6
GraphGPS 2024.05		74.6
Hi-GMAE-G 2024.05		74.6
ADGCL 2026.02		74.5
GraphCL 2026.02		74.5
SimGRACE 2024.05		74.4
CP 2026.02		74.3
JOAO 2026.02		74.1
Hi-GMAE-F 2024.05		74.1
No Pre-train 2026.02		73.9
GraphCL 2024.05		73.9
GMT 2024.05		72.3
SAGPool 2024.05		72.2
S2GAE 2026.02		69.6