Molecular Generation
Benchmarks
DatasetSOTA methodMetricTrendResultsLast updated
942.2Uniqueness
68
Feb 26, 2026
1.16FCD
45
May 19, 2026
100Validity
45
Jun 8, 2026
100Validity
32
May 4, 2026
99.93Validity
32
Mar 13, 2026
-12.807Top-Hit 5% Docking Score (kcal/mol)
29
Apr 3, 2026
-13.903Docking Score (Top-Hit 5%, kcal/mol)
29
Apr 3, 2026
-11.235Top-Hit 5% Docking Score (kcal/mol)
29
Apr 3, 2026
-14.168Top-Hit 5% Docking Score (kcal/mol)
29
Apr 3, 2026
-13.43Top-Hit 5% Docking Score (kcal/mol)
28
Apr 3, 2026
99.85Validity
26
May 19, 2026
0.922QED
25
Feb 26, 2026
61.9QED
25
Feb 26, 2026
1,000Sample Efficiency
21
Jun 4, 2026
3,333Sample Efficiency
21
Jun 4, 2026
920Novel Hit Ratio
21
May 19, 2026
22.69Novel Hit Ratio
21
May 19, 2026
585.3Novel Hit Ratio
21
May 19, 2026
70RDK-FTS (%)
14
May 22, 2026
99.2Validity
14
Feb 26, 2026
98.02Validity (w/o correction)
13
Apr 3, 2026
534Novel Hit Ratio
12
Apr 3, 2026
701.7Novel Hit Ratio
12
Apr 3, 2026
330# Circles
12
Feb 26, 2026
291.7#Circles
12
Feb 26, 2026