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1. matchms matchms Public

   Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.

   Python 260 82

2. ms2deepscore ms2deepscore Public

   Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity

   Jupyter Notebook 86 31

3. chemap chemap Public

   Library for computing molecular fingerprint based similarities as well as dimensionality-reduction-based chemical space visualizations.

   Python 10 2

4. matchmsextras matchmsextras Public

   additional network analysis functions for matchms

   Python 6 2

5. sparsestack sparsestack Public

   Memory efficient stack of multiple 2D sparse arrays.

   Python 4 6

6. notebooks notebooks Public archive

   Jupyter notebook with matchms tutorial.

   Jupyter Notebook 2 1