Molecule Generation
Benchmarks
DatasetSOTA methodMetricTrendResultsLast updated
0.73QED Average
9
May 12, 2026
99.9Atom Stability
9
Feb 26, 2026
0.401FCD
9
Feb 26, 2026
0.16Generation Time
9
Feb 26, 2026
0.46Generation Time
9
Feb 26, 2026
0.926Mol Stability
9
Mar 4, 2026
98.43Validity
8
Jun 4, 2026
100Validity
8
Mar 9, 2026
100Validity
8
Mar 9, 2026
95.5P
8
Mar 4, 2026
97P Score
8
Mar 4, 2026
99.2P
8
Mar 4, 2026
8.98PARP1
8
Feb 26, 2026
82BLEU
7
Jun 9, 2026
50BLEU Score
7
Jun 9, 2026
0.83BLEU Score
7
Jun 9, 2026
40BLEU
7
Jun 9, 2026
0.72BLEU
7
Feb 26, 2026
99.55Validity
6
May 4, 2026
1Sampling/Searching Time (per Iteration)
6
Apr 28, 2026
94.1PoseBusters Validity
6
Mar 6, 2026
99.98Atom Connectivity
6
Mar 6, 2026
0.48MAE (HOMO)
6
Feb 26, 2026
97.8Validity
6
Feb 26, 2026
76.9BLEU
5
Feb 26, 2026