HyperSpectral · SpecAI · Spectral Foundation Model

Spectral Foundation Model: Mass Spec

Inside a mass spectrometer, a molecule breaks into a distinctive pattern of fragments. This model reads that pattern and works out which molecule produced it, choosing from a list of candidate structures. It compares the fragments against each candidate's chemical structure and ranks them by how well they match. Pick one of the example spectra below (all new to the model) and see whether the correct molecule lands in the top 5.

Spectrum-to-structure matching on MassSpecGym
higher is better ↑
How often the correct structure is the model's top-1 pick (Hit@1)
Random (1 of ~256)
0.4%
MIST (prior work)
14.6%
FLARE (reported)
43.2%
HyperSpectral (ours)
49.0%
025%50%

Pick a molecule to identify

Or bring your own spectrum

Drop a .mgf or .msp file here or

No file handy? Try a real test spectrum:

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