OpenCodePapers

molecule-retrieval-from-ms-ms-spectrum-bonus

Molecule retrieval from MS/MS spectrum (bonus chemical formulae)
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PaperCodeHit rate @ 1Hit rate @ 5Hit rate @ 20MCES @ 1ModelNameReleaseDate
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data11.8532.9561.46JESTR2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data11.8233.4861.46JESTR_NR2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data11.0527.4252.20ESP2024-11-18
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link9.5722.1141.1212.75MIST2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link6.5616.4633.4614.14DeepSets + Fourier features2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link5.0914.6931.9714.94Fingerprint FFN2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link4.4214.4630.7615.04DeepSets2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules✓ Link3.0611.3527.7413.87Random2024-10-30
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