DreaMS (Nature Biotechnology 2025)
github.com/pluskal-lab/dreamsTransformer foundation model for tandem mass spectrometry (MS/MS) self-supervised on millions of unannotated spectra from the GeMS dataset via masked peak prediction and chromatographic retention-order objectives, producing 1024-dimensional molecular representations; achieves SOTA on spectral similarity, chemical property, and molecular fingerprint prediction, and powers the DreaMS Atlas annotating 201M+ MS/MS spectra for metabolomics and natural product discovery (Pluskal Lab, IOCB Prague & MIT, 211+ stars, MIT License)
Sourced from
- Awesome AI for Science — github.com/pluskal-lab/dreams
- GitHub — github.com/pluskal-lab/dreams
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