De novo small molecule generation on SAFE (test) benchmark leaderboard · SOTA2 Research

De novo small molecule generation on SAFE (test)

99.9ValidityLFlexMDM

Evaluation Results

Method	Links
LFlexMDM2026.02		99.9	0.83	79.1	50.1
LFlexMDM2026.02		99.9	0.834	80.5	56.6
LFlexMDM2026.02		99.8	0.857	86.1	59.2
LFlexMDM2026.02		99.8	0.876	90.3	58.9
LFlexMDM2026.02		99.7	0.87	88.6	54.7
LFlexMDM2026.02		99.7	0.837	82.6	52.4
LFlexMDM2026.02		99.7	0.851	87.8	60
LFlexMDM2026.02		99.7	0.881	93.8	57.5
LFlexMDM2026.02		99.6	0.887	90.9	46.8
LFlexMDM2026.02		99.6	0.878	92.2	61.2
LFlexMDM2026.02		99.5	0.864	87.2	62.1
LFlexMDM2026.02		99.4	0.919	96.3	43.1
LFlexMDM2026.02		99.3	0.889	93	46.9
LFlexMDM2026.02		99	0.921	96.1	39.1
LFlexMDM2026.02		99	0.919	95.9	43.8
LFlexMDM2026.02		99	0.918	97.1	43
FlexMDM2026.02		98.9	0.922	96.4	39.5
LFlexMDM2026.02		98.9	0.921	95.6	39.6
LFlexMDM2026.02		98.9	0.918	96.4	43.5
MDM2026.02		96.7	0.896	99.3	53.8
SAFE-GPT2026.02		94	0.879	100	54.7
FlexMDM2026.02		86.5	0.906	20.2	5.8