Graph Classification on MoleculeNet benchmark leaderboard · SOTA2 Research

Graph Classification on MoleculeNet

70.07Tox21 AccuracyMole-BERT

Evaluation Results

Method	Links
Mole-BERT2026.06		70.07	59.72	52.58	55.52	61.05	57.79	68.44	60.07	4
PatchNet2026.06		68.56	59.64	53.06	59.5	62.19	58.74	68.55	59.74	1.4
JOAO2026.06		68.41	58.92	52.45	57.78	60.73	56.88	62.99	57.35	7
GraphCL2026.06		68.22	59.09	52.67	56.99	58.73	56.82	64.68	56.92	7.9
GraphMVP2026.06		68.01	55.43	52.24	55.54	57.36	56.88	65.41	57.77	10.3
GPT-GNN2026.06		67.98	58.39	52.97	57.07	58.56	56.68	65.06	56.25	8.5
GIN2026.06		67.9	58.39	52.14	56.43	58.53	56.58	58.57	55.84	12.5
PatchNet2026.06		67.77	56.74	51.88	55.78	60.16	57.72	59.15	57.35	10.4
AM+CP2026.06		67.62	58.19	52.44	57.17	59.06	56.53	63.79	57.96	9.3
SimGRACE2026.06		67.49	58.79	52.73	56.54	59.98	57.65	63.27	56.03	8.8
AttrMask2026.06		67.17	59.33	52.21	56.69	58.58	57.34	63.65	57.27	9.3
3D InfoMax2026.06		67.05	58.22	52.58	54.56	59.85	56.65	67.64	58.66	9
ContextPred2026.06		66.45	58.16	51.53	55.83	59.49	56.58	63.57	57.92	11.3
PatchNet2026.06		66.22	59.56	53.06	58.6	61.79	54.11	55.01	57.55	7.9
PatchNet2026.06		64.84	56.95	52.29	57.26	60.65	54.27	60.32	57.2	11.1
AD-GCL2026.06		64.81	55.55	51.13	53.46	59.41	56.01	59.26	52.27	15.3
GraphLoG2026.06		64.09	58.88	52.74	57.38	60.39	57.04	62.49	56.14	8.6