MS/MS spectrum simulation (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	FraGNNet	63.2	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
2	FFN Fingerprint	22.7	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
3	GNN	13.55	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
4	Precursor m/z	8.52	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code

#1FraGNNetSOTA
63.2
Hit Rate @ 5· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#2FFN Fingerprint
22.7
Hit Rate @ 5· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#3GNN
13.55
Hit Rate @ 5· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#4Precursor m/z
8.52
Hit Rate @ 5· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code