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

Metric: MCES @ 1 (higher is better)

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#	Model↕	MCES @ 1▼	Extra Data	Paper	Date↕	Code
1	DeepSets	15.04	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
2	Fingerprint FFN	14.94	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
3	DeepSets + Fourier features	14.14	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
4	Random	13.87	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
5	MIST	12.75	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code

#1DeepSetsSOTA
15.04
MCES @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#2Fingerprint FFN
14.94
MCES @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#3DeepSets + Fourier features
14.14
MCES @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#4Random
13.87
MCES @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#5MIST
12.75
MCES @ 1· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code