Molecular Property Prediction on QM9 110k (test) benchmark leaderboard · SOTA2 Research

Molecular Property Prediction on QM9 110k (test)

36.7MAE (EHOMO) [meV]SchNet with Edge Update Network

Evaluation Results

Method
SchNet with Edge Update Network2018.06	36.7	30.8	58	1.49	0.029	0.077	0.072	10.5	10.6	11.3	12.2	0.032
SchNet with Edge Update Network2018.06	37.3	31.3	58.9	1.52	0.029	0.082	0.075	11.1	11.2	11.9	12.7	0.033
SchNet2018.06	41	34	63	1.7	0.033	0.235	0.073	14	19	14	14	0.033
enn-s2s2018.06	43	37	69	1.5	0.03	0.092	0.18	19	19	17	19	0.04