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Molecular property prediction on BACE

89.7ROC-AUC

ChemATP

Updated 4d ago

Evaluation Results

Method	Links
ChemATP 2025.12		89.7
UniMol 2025.12		85.7
LLM4SD 2025.12		83.83
GREA 2022.06		82.37
InstructMol 2025.12		82.3
GREA 2022.06		81.91
GraphMVP 2025.12		81.2
OOD-GNN 2022.06		80.96
U-NETSPOOL 2022.06		80.26
GREA-REPAUG 2022.06		79.97
IRM 2022.06		79.77
IRM 2022.06		79.47
OOD-GNN 2022.06		78
U-NETSPOOL 2022.06		77.57
DIR+REPAUG 2022.06		76.77
MolRAG 2025.12		76.73
MoMu 2025.12		76.7
GREA-REPAUG 2022.06		76.55
DIR+REPAUG 2022.06		75.9
SELFATTNPOOL 2022.06		73.83
SELFATTNPOOL 2022.06		73.48
STABLEGNN 2022.06		72.29
CoT 2025.12		67.75
DIR 2022.06		67.51
STABLEGNN 2022.06		66.07
DA 2025.12		64.28
DIR 2022.06		61.15
GraphLoG 2022.05		0.835
GraphMAE 2022.05		0.831
ContextPred 2022.05		0.796
AttrMasking 2022.05		0.793
JOAO 2022.05		0.773
Infomax 2022.05		0.759
GraphCL 2022.05		0.754
No-pretrain 2022.05		0.7