Molecular Property Regression on QM9 benchmark leaderboard · SOTA2 Research

Molecular Property Regression on QM9

0.0029Gap Energy Error (delta_e)PPGN

Evaluation Results

Method
PPGN2020.12	0.0029	0.0934	0.318	0.0017	0.0021	3.78	0.0004	0.022	0.0504	0.0294	0.024	0.144
Provably Powerful Graph Networks (Ours 2)2019.05	0.0029	0.0934	0.318	0.0017	0.0021	3.78	0.0004	0.022	0.0504	0.0294	0.024	0.144
ExpC-s2020.12	0.0036	0.368	0.244	0.0025	0.0026	16.3	0.0002	0.0151	0.0167	0.0165	0.0165	0.0962
CombC2020.12	0.0039	0.399	0.241	0.0026	0.0028	15.9	0.0002	0.0144	0.0145	0.0147	0.014	0.0858
Provably Powerful Graph Networks (Ours 1)2019.05	0.0041	0.231	0.382	0.0028	0.0029	16.07	0.0006	0.234	0.234	0.229	0.238	0.184
GAT-s2020.12	0.0046	0.452	0.286	0.0032	0.0033	22.7	0.0002	0.0212	0.0223	0.0223	0.0219	0.1247
Uni-Mol2026.05	0.0047	—	—	—	—	—	—	—	—	—	—	—
GINO*2020.12	0.0047	0.471	0.281	0.0033	0.0034	22.9	0.0002	0.0244	0.0245	0.0233	0.0255	0.1283
k-GNN2020.12	0.0048	0.476	0.27	0.0034	0.0035	22.9	0.0002	0.0427	0.111	0.0419	0.0469	0.0944
123-gnn2019.05	0.0048	0.476	0.27	0.0034	0.0035	22.9	0.0002	0.0427	0.111	0.0419	0.0469	0.0944
MPNN2019.05	0.0066	0.358	0.89	0.0054	0.0062	28.5	0.0022	—	—	—	—	0.42
MolSight2026.05	0.007	—	—	—	—	—	—	1.99	—	—	—	—
DTNN2019.05	0.0112	0.244	0.95	0.0039	0.0051	17	0.0017	—	—	—	—	0.27
MOLEBLEND2026.05	0.0348	—	—	—	—	—	—	11.82	—	—	—	—
MOLINTERACT2026.05	0.0356	—	—	—	—	—	—	7.72	—	—	—	—
MoleculeSDE2026.05	0.0418	—	—	—	—	—	—	12.04	—	—	—	—
GraphMVP2026.05	0.042	—	—	—	—	—	—	13.07	—	—	—	—
3D InfoMax2026.05	0.0421	—	—	—	—	—	—	13.3	—	—	—	—
DTNN2020.12	—	0.244	0.95	—	—	17	—	2.43	2.43	2.43	2.43	0.27
MPNN2020.12	—	0.358	0.89	—	—	28.5	—	2	2	2	2	0.42