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SotA/Miscellaneous/Molecule retrieval from MS/MS spectrum (bonus chemical formulae)/MassSpecGym

Molecule retrieval from MS/MS spectrum (bonus chemical formulae) on MassSpecGym

Metric: MCES @ 1 (higher is better)

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#Model↕MCES @ 1▼Extra DataPaperDate↕Code
1DeepSets15.04NoMassSpecGym: A benchmark for the discovery and i...2024-10-30Code
2Fingerprint FFN14.94NoMassSpecGym: A benchmark for the discovery and i...2024-10-30Code
3DeepSets + Fourier features14.14NoMassSpecGym: A benchmark for the discovery and i...2024-10-30Code
4Random13.87NoMassSpecGym: A benchmark for the discovery and i...2024-10-30Code
5MIST12.75NoMassSpecGym: A benchmark for the discovery and i...2024-10-30Code