Molecule retrieval from MS/MS spectrum on MassSpecGym

Metric: Hit rate @ 20 (higher is better)

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#	Model↕	Hit rate @ 20▼	Extra Data	Paper	Date↕	Code
1	JESTR_NR	60.55	No	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
2	JESTR	60.32	Yes	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
3	MIST	59.15	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
4	ESP	42.66	No	JESTR: Joint Embedding Space Technique for Ranki...	2024-11-18	-
5	DeepSets + Fourier features	28.21	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
6	Fingerprint FFN	20	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
7	DeepSets	19.23	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
8	Random	8.22	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code

#1JESTR_NRSOTA
60.55
Hit rate @ 20· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#2JESTR
60.32
Hit rate @ 20· Extra Data· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#3MISTSOTA
59.15
Hit rate @ 20· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#4ESP
42.66
Hit rate @ 20· 2024-11-18
JESTR: Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
#5DeepSets + Fourier features
28.21
Hit rate @ 20· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#6Fingerprint FFN
20
Hit rate @ 20· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#7DeepSets
19.23
Hit rate @ 20· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#8Random
8.22
Hit rate @ 20· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code