Molecule retrieval from MS/MS spectrum on MassSpecGym

Metric: Hit rate @ 1 (higher is better)

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#	Model↕	Hit rate @ 1▼	Extra Data	Paper	Date↕	Code
1	JESTR_NR	15.62	No	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
2	JESTR	15.13	Yes	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
3	MIST	14.64	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
4	ESP	10.71	No	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
5	DeepSets + Fourier features	5.24	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
6	Fingerprint FFN	2.54	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
7	DeepSets	1.47	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
8	Random	0.37	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code

#1JESTR_NRSOTA
15.62
Hit rate @ 1· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#2JESTR
15.13
Hit rate @ 1· Extra Data· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#3MISTSOTA
14.64
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#4ESP
10.71
Hit rate @ 1· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#5DeepSets + Fourier features
5.24
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#6Fingerprint FFN
2.54
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#7DeepSets
1.47
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#8Random
0.37
Hit rate @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code