De novo molecule generation from MS/MS spectrum (bonus chemical formulae)
Benchmark Results
| # | Model | Metric | Claimed | Verified | Status |
|---|
| 1 | DiffMS | Top-1 Accuracy | 2.3 | — | Unverified |
| 2 | Madgen | Top-1 Accuracy | 1.31 | — | Unverified |
| 3 | MIST + Neuraldecipher | Top-1 Accuracy | 0 | — | Unverified |
| 4 | MIST + MSNovelist | Top-1 Accuracy | 0 | — | Unverified |
| 5 | Spec2Mol | Top-1 Accuracy | 0 | — | Unverified |
