ML Research Wiki / Benchmarks / Molecule retrieval from MS/MS spectrum (bonus chemical formulae) / MassSpecGym

MassSpecGym

Molecule retrieval from MS/MS spectrum (bonus chemical formulae) Benchmark

Performance Over Time

📊 Showing 8 results | 📏 Metric: Hit rate @ 1

Top Performing Models

Rank Model Paper Hit rate @ 1 Date Code
1 JESTR 📚 JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data 11.85 2024-11-18 -
2 JESTR_NR JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data 11.82 2024-11-18 -
3 ESP JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data 11.05 2024-11-18 -
4 MIST MassSpecGym: A benchmark for the discovery and identification of molecules 9.57 2024-10-30 📦 pluskal-lab/massspecgym
5 DeepSets + Fourier features MassSpecGym: A benchmark for the discovery and identification of molecules 6.56 2024-10-30 📦 pluskal-lab/massspecgym
6 Fingerprint FFN MassSpecGym: A benchmark for the discovery and identification of molecules 5.09 2024-10-30 📦 pluskal-lab/massspecgym
7 DeepSets MassSpecGym: A benchmark for the discovery and identification of molecules 4.42 2024-10-30 📦 pluskal-lab/massspecgym
8 Random MassSpecGym: A benchmark for the discovery and identification of molecules 3.06 2024-10-30 📦 pluskal-lab/massspecgym

All Papers (8)

pluskal-lab/massspecgym
pluskal-lab/massspecgym
pluskal-lab/massspecgym
pluskal-lab/massspecgym
pluskal-lab/massspecgym