Molecular property prediction

Benchmarks

Dataset Name	SOTA Method	Metric
QM9 (test)	MGCN	mu56	229	9d ago
MoleculeNet BBBP (scaffold)	DumplingGNN	ROC AUC96.4	140	1mo ago
MoleculeNet SIDER (scaffold)	SELFormer	ROC-AUC0.745	120	1mo ago
MoleculeNet BACE (scaffold)	MolCLR	ROC-AUC89	110	1mo ago
MoleculeNet MUV (scaffold)	SYN-FUSION	ROC-AUC0.903	91	1mo ago
QM9		Cv0	80	8d ago
ToxCast (scaffold)	GIN	ROC-AUC66.5	75	1mo ago
MoleculeNet HIV (scaffold)	GraphConv + dummy super node	ROC AUC85.1	66	1mo ago
BACE (test)	BioT5	ROC-AUC89.4	65	1mo ago
BBBP (test)	ProtoW-L2	ROC-AUC0.92	64	1mo ago
BACE	DMMRL	ROC-AUC92.5	55	23d ago
Tox21 (test)	GPF-plus	ROC-AUC0.8005	53	1mo ago
SIDER (test)	MGSSL (BFS)	ROC-AUC0.807	53	1mo ago
MUV (test)	GPF-plus	ROC-AUC84.48	49	1mo ago
BBBP	DMMRL	ROC AUC0.968	48	25d ago
MoleculeNet Tox21 (scaffold)	GraphConv + dummy super node	ROC-AUC85.4	48	1mo ago
ClinTox		ROC AUC97.5	47	25d ago
MoleculeNet ClinTox (scaffold)	DumplingGNN	ROC-AUC0.959	45	1mo ago
HIV (scaffold split)	MGSSL	ROC-AUC79.5	40	1mo ago
Tox21 scaffold split	GraSPNet	ROC-AUC77.3	40	1mo ago
MOLESOL	DS-GNN (NM)	RMSE0.847	37	1mo ago
MOLPCBA OGB (test)	TGT-Ag + TGT-At-DP	AP (Test)31.67	36	1mo ago
MOLHIV	CIN	ROC-AUC80.94	35	1mo ago
ToxCast (test)	GPF	ROC-AUC67.92	34	1mo ago
ClinTox (test)	GIT-Mol	ROC-AUC88.3	33	1mo ago

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