Molecular Generation from Mass Spectra on NPLIB1 (test)
100Overall ValidityMIST + MolForge
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MIST + MolForgeimplementation=authors' implementation, public code=false2026.04 | 100 | 63.14 | 31.76 | 73.47 | 43.34 | |
| DiffMS2026.04 | 100 | 77.1 | 42.82 | 87.5 | 59.03 | |
| FRIGID-baseinference-time scaling=false2026.04 | 100 | 79.7 | 52.8 | 88.42 | 67 | |
| FRIGIDinference-time scaling=true2026.04 | 100 | 80.2 | 57.41 | 88.04 | 67.25 | |
| MIST + MSNovelist2026.04 | 98.6 | 13.72 | 3.39 | 53.03 | 7.35 | |
| MIST + Neuraldecipher2026.04 | 81.78 | 65.81 | 28.57 | 78.14 | 39.68 | |
| Spec2Mol2026.04 | 66.5 | 4.09 | 0 | 8.05 | 0 |