MS/MS spectrum simulation (bonus chemical formulae) on MassSpecGym

Metric: Hit Rate @ 20 (higher is better)

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#	Model↕	Hit Rate @ 20▼	Extra Data	Paper	Date↕	Code
1	FraGNNet	82.7	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
2	FFN Fingerprint	44.12	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
3	GNN	33.77	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code
4	Precursor m/z	22.65	No	MassSpecGym: A benchmark for the discovery and i...	2024-10-30	Code

#1FraGNNetSOTA
82.7
Hit Rate @ 20· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#2FFN Fingerprint
44.12
Hit Rate @ 20· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#3GNN
33.77
Hit Rate @ 20· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code
#4Precursor m/z
22.65
Hit Rate @ 20· 2024-10-30
MassSpecGym: A benchmark for the discovery and identification of molecules Code