De novo molecular generation from mass spectra on NPLIB1 (test)
19.18Top-1 AccuracyMARLIN (MIST)
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| MARLIN (MIST)Formula provision=unknown, Encoder=MIST2026.07 | 19.18 | 8.59 | 51 | 26.65 | 7.4 | 57 | |
| MARLIN (DreaMS)Formula provision=unknown, Encoder=DreaMS2026.07 | 16.94 | 6.79 | 55 | 23.54 | 5.83 | 60 | |
| FRIGIDFormula provision=unknown2026.07 | 13.95 | 12.56 | 46 | 23.29 | 9.94 | 52 | |
| MBGenFormula provision=given2026.07 | 12.2 | 7.72 | 41 | 22.29 | 6.71 | 50 | |
| MSAnchorFormula provision=given2026.07 | 8.51 | 11.12 | 38 | 16.9 | 8.95 | 49 | |
| DiffMSFormula provision=given2026.07 | 8.34 | 11.95 | 35 | 15.44 | 9.23 | 47 | |
| MS-BARTFormula provision=given2026.07 | 7.45 | 9.66 | 44 | 10.99 | 8.31 | 51 | |
| MIST + MSNovelistFormula provision=given2026.07 | 5.4 | 14.52 | 34 | 11.04 | 10.23 | 44 | |
| MIST + NeuraldecipherFormula provision=given2026.07 | 2.32 | 12.11 | 35 | 6.11 | 9.91 | 43 | |
| MADGENFormula provision=given2026.07 | 2.1 | 20.56 | 22 | 2.39 | 12.69 | 27 | |
| Spec2MolFormula provision=given2026.07 | 0 | 27.82 | 12 | 0 | 23.13 | 16 |