Molecule retrieval from MS/MS spectrum (bonus chemical formulae)
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Benchmark Results
| # | Model | Metric | Claimed | Verified | Status |
|---|---|---|---|---|---|
| 1 | ESP | Hit rate @ 1 | 11.05 | — | Unverified |
| 2 | DeepSets + Fourier features | Hit rate @ 1 | 6.56 | — | Unverified |
| 3 | Fingerprint FFN | Hit rate @ 1 | 5.09 | — | Unverified |
| 4 | DeepSets | Hit rate @ 1 | 4.42 | — | Unverified |
| 5 | Random | Hit rate @ 1 | 3.06 | — | Unverified |