Molecular Generation from Mass Spectra on MassSpecGym (test)
100Overall ValidMIST + MolForge
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MIST + MolForgeimplementation=authors' implementation, public code=false2026.04 | 100 | 52.68 | 24.58 | 68.66 | 29.02 | |
| DiffMS2026.04 | 100 | 78.56 | 28.28 | 96.67 | 51.74 | |
| FOAM (DiffMS+PubChem)2026.04 | 100 | 78 | 35.55 | 93.66 | 62.94 | |
| FRIGID-baseinference-time scaling=false2026.04 | 100 | 72.66 | 32.86 | 85.87 | 40.11 | |
| FRIGIDinference-time scaling=true2026.04 | 100 | 75.61 | 34.63 | 86.34 | 41.86 | |
| MIST + MSNovelist2026.04 | 98.58 | 57.17 | 30.92 | 70.06 | 42.58 | |
| MIST + Neuraldecipher2026.04 | 91.11 | 53.75 | 2.5 | 63.37 | 4.27 | |
| Spec2Mol2026.04 | 68.5 | 4.09 | 0 | 27.7 | 0 |