MS/MS spectrum simulation (bonus chemical formulae)
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Benchmark Results
| # | Model | Metric | Claimed | Verified | Status |
|---|---|---|---|---|---|
| 1 | FraGNNet | Hit Rate @ 1 | 31.93 | — | Unverified |
| 2 | FFN Fingerprint | Hit Rate @ 1 | 7.62 | — | Unverified |
| 3 | GNN | Hit Rate @ 1 | 3.63 | — | Unverified |
| 4 | Precursor m/z | Hit Rate @ 1 | 2.09 | — | Unverified |