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

Metric: Hit rate @ 1 (higher is better)

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#	Model↕	Hit rate @ 1▼	Extra Data	Paper	Date↕	Code
1	JESTR	11.85	Yes	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
2	JESTR_NR	11.82	No	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
3	ESP	11.05	No	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
4	MIST	9.57	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
5	DeepSets + Fourier features	6.56	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
6	Fingerprint FFN	5.09	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
7	DeepSets	4.42	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
8	Random	3.06	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code

#1JESTRSOTA
11.85
Hit rate @ 1· Extra Data· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#2JESTR_NR
11.82
Hit rate @ 1· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#3ESP
11.05
Hit rate @ 1· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#4MISTSOTA
9.57
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#5DeepSets + Fourier features
6.56
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#6Fingerprint FFN
5.09
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#7DeepSets
4.42
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#8Random
3.06
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code