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  1. pluskal-lab/DreaMS pluskal-lab/DreaMS Public

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

    Jupyter Notebook 106 25

  2. pluskal-lab/MassSpecGym pluskal-lab/MassSpecGym Public

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

    Jupyter Notebook 93 10

  3. anton-bushuiev/ProteinTTT anton-bushuiev/ProteinTTT Public

    Training on test proteins improves fitness, structure, and function prediction

    Jupyter Notebook 13 2