Molecule Retrieval on MassSpecGym
10.5Top-1 AccuracyMADGEN
Evaluation results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| MADGENRetriever=Oracle2025.01 | 10.5 | 100 | 43 | 16.27 | 12.4 | 53 | 7.08 | |
| MADGENRetriever=Predictive2025.01 | 1.31 | 13.2 | 20 | 27.47 | 1.54 | 26 | 16.84 | |
| Rand. Gen.2025.01 | 0 | — | 8 | 21.11 | 0 | 11 | 18.25 | |
| SMILES Transformer2025.01 | 0 | — | 3 | 79.39 | 0 | 10 | 52.13 | |
| SELFIES Transformer2025.01 | 0 | — | 8 | 38.88 | 0 | 13 | 26.87 | |
| Spec2Mol2025.01 | 0 | — | 9 | 45.89 | 0 | 13 | 32.6 | |
| MSNovelist2025.01 | 0 | — | — | — | 0 | — | — |