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  1. DreaMS DreaMS Public

    Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)

    Jupyter Notebook 144 36

  2. MassSpecGym MassSpecGym Public

    MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)

    Jupyter Notebook 108 13

  3. EnzymeExplorer EnzymeExplorer Public

    Highly accurate discovery of terpene synthases powered by machine learning

    Jupyter Notebook 12 3

  4. DreaMS_legacy DreaMS_legacy Public

    Forked from roman-bushuiev/DreaMS_legacy

    DreaMS (Deep Representations Empowering The Annotation of Mass Spectra)

    Jupyter Notebook 5

  5. ANN_DreaMS_benchmark ANN_DreaMS_benchmark Public

    Approximate nearest neighbors benchmark of matchms algorithms on DreaMS embeddings

    Python 4

  6. PiperFIM PiperFIM Public

    Remarkable diversity of alkaloid scaffolds in Piper fimbriulatum

    Jupyter Notebook 3 1

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