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

Metric: Hit rate @ 5 (higher is better)

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#	Model↕	Hit rate @ 5▼	Extra Data	Paper	Date↕	Code
1	JESTR_NR	33.48	No	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
2	JESTR	32.95	Yes	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
3	ESP	27.42	No	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
4	MIST	22.11	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
5	DeepSets + Fourier features	16.46	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
6	Fingerprint FFN	14.69	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
7	DeepSets	14.46	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
8	Random	11.35	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code

#1JESTR_NRSOTA
33.48
Hit rate @ 5· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#2JESTR
32.95
Hit rate @ 5· Extra Data· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#3ESP
27.42
Hit rate @ 5· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#4MISTSOTA
22.11
Hit rate @ 5· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#5DeepSets + Fourier features
16.46
Hit rate @ 5· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#6Fingerprint FFN
14.69
Hit rate @ 5· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#7DeepSets
14.46
Hit rate @ 5· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#8Random
11.35
Hit rate @ 5· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code