Property Optimization on ZINC250K (test) benchmark leaderboard · SOTA2 Research

Property Optimization on ZINC250K (test)

0.8441st Order MetricMRNN

Evaluation Results

Method	Links
MRNN2021.06		0.844	0.796	0.736
MRNN2022.10		0.844	0.799	0.736
FREED2021.06		0.92	0.919	0.908
JT-VAE2021.06		0.925	0.911	0.91
JTVAE2022.10		0.925	0.911	0.91
MARS2021.06		0.944	0.943	0.942
GA2021.06		0.946	0.944	0.932
H-VAE*2021.06		0.947	0.946	0.946
ModFlow2022.10		0.947	0.941	0.939
GCPN2021.06		0.948	0.947	0.946
GraphAF2021.06		0.948	0.948	0.947
GraphDF2021.06		0.948	0.948	0.948
F-VAE*2021.06		0.948	0.948	0.947
PS-VAE2021.06		0.948	0.948	0.948
ZINC (dataset)2022.10		0.948	0.948	0.948
GCPN2022.10		0.948	0.947	0.945
GraphAF2022.10		0.948	0.948	0.947
GraphDF2022.10		0.948	0.948	0.948
MoFlow2022.10		0.948	0.948	0.948
ModFlow2022.10		0.948	0.941	0.937
ModFlow2022.10		0.948	0.937	0.931
ModFlow2022.10		0.948	0.948	0.945
JT-VAE2021.06		5.3	4.93	4.49
FREED2021.06		6.74	6.65	6.42
MARS2021.06		7.24	6.44	6.43
GCPN2021.06		7.98	7.85	7.8
MRNN2021.06		8.63	6.08	4.73
H-VAE*2021.06		11.41	9.67	9.31
GraphAF2021.06		12.23	11.29	11.05
GA2021.06		12.25	12.22	12.2
F-VAE*2021.06		13.5	12.62	12.4
GraphDF2021.06		13.7	13.18	13.17
PS-VAE2021.06		13.95	13.83	13.65