Molecular Generation from Mass Spectra on NPLIB1
34.37Top-1 AccuracyDualLGD
Evaluation Results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| DualLGDtraining=two-stage paradigm2026.05 | 34.37 | 5.44 | 0.6 | 44.96 | 4.12 | 0.68 | |
| CoRe-Gencandidates per spectrum=100, beam size=100, fingerprint threshold=0.22026.05 | 19.54 | 6.16 | 0.56 | 29.92 | 4.72 | 0.65 | |
| MBGen2026.05 | 12.2 | 7.72 | 0.41 | 22.29 | 6.71 | 0.5 | |
| MSAnchor2026.05 | 8.51 | 11.12 | 0.38 | 16.9 | 8.95 | 0.49 | |
| DiffMS2026.05 | 8.34 | 11.95 | 0.35 | 15.44 | 9.23 | 0.47 | |
| DiffMScandidates per spectrum=100, beam size=100, fingerprint threshold=0.22026.05 | 8.34 | 11.95 | 0.35 | 15.44 | 9.23 | 0.47 | |
| MS-BART2026.05 | 7.45 | 9.66 | 0.44 | 10.99 | 8.31 | 0.51 | |
| MS-BARTcandidates per spectrum=100, beam size=100, fingerprint threshold=0.22026.05 | 7.45 | 9.66 | 0.44 | 10.99 | 8.31 | 0.51 | |
| MIST + MSNovelist2026.05 | 5.4 | 14.52 | 0.34 | 11.04 | 10.23 | 0.44 | |
| MIST + MSNovelistcandidates per spectrum=100, beam size=100, fingerprint threshold=0.22026.05 | 5.4 | 14.52 | 0.34 | 11.04 | 10.23 | 0.44 | |
| MIST + Neuraldecipher2026.05 | 2.32 | 12.11 | 0.35 | 6.11 | 9.91 | 0.43 | |
| MIST + NeuralDeciphercandidates per spectrum=100, beam size=100, fingerprint threshold=0.22026.05 | 2.32 | 12.11 | 0.35 | 6.11 | 9.91 | 0.43 | |
| MADGEN2026.05 | 2.1 | 20.56 | 0.22 | 2.39 | 12.69 | 0.27 | |
| MADGENcandidates per spectrum=100, beam size=100, fingerprint threshold=0.22026.05 | 2.1 | 20.56 | 0.22 | 2.39 | 12.69 | 0.27 | |
| Spec2Mol2026.05 | 0 | 27.82 | 0.12 | 0 | 23.13 | 0.16 | |
| Spec2Molcandidates per spectrum=100, beam size=100, fingerprint threshold=0.22026.05 | 0 | 27.82 | 0.12 | 0 | 23.13 | 0.16 |