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  1. coleygroup/FRIGID coleygroup/FRIGID Public

    Scaling diffusion-based molecular generation from mass spectra at training and inference time

    Python 22 3

  2. coleygroup/DiffMS coleygroup/DiffMS Public

    Python 122 30

  3. coleygroup/ms-pred coleygroup/ms-pred Public

    Predicting tandem mass spectra from molecules

    Jupyter Notebook 160 40

  4. pluskal-lab/MassSpecGym pluskal-lab/MassSpecGym Public

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

    Jupyter Notebook 153 22