MS/MS spectrum simulation (bonus chemical formulae)
Papers
Showing 1–1 of 1 papers
| Title | Status | Hype |
|---|---|---|
| MassSpecGym: A benchmark for the discovery and identification of molecules | Code | 2 |
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 |