SpecMol-Bench
Benchmarks
TaskDatasetSOTA resultTrendResults
SpecMol-Bench v1.0 (test)
0.996Token Accuracy
13
SpecMol-Bench v1.0 (test)
41.52Token Accuracy
12
SpecMol-Bench (test)
52.44Token Accuracy
12
SpecMol-Bench 1H-NMR 1.0 (test)
82.7Sset
8
SpecMol-Bench 13C-NMR 1.0 (test)
86Sset
8
SpecMol-Bench IUPAC-to-3D
82.78Validity
6
SpecMol-Bench SMILES-to-3D
0.897Validity
6
SpecMol-Bench MS
0.423Cosine Similarity
6
SpecMol-Bench IR
0.554Cos Similarity
6
SpecMol-Bench 1H-NMR
44.9Jaccard Index
6
SpecMol-Bench 13C-NMR
47.9F1 Score
6