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matchms

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  1. matchms matchms Public

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

    Python 252 77

  2. ms2deepscore ms2deepscore Public

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

    Jupyter Notebook 80 30

  3. matchmsextras matchmsextras Public

    additional network analysis functions for matchms

    Python 6 2

  4. chemap chemap Public

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

    Python 5 1

  5. sparsestack sparsestack Public

    Memory efficient stack of multiple 2D sparse arrays.

    Python 4 5

  6. notebooks notebooks Public archive

    Jupyter notebook with matchms tutorial.

    Jupyter Notebook 2 1

Repositories

Showing 10 of 12 repositories
  • ms2deepscore Public

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

    matchms/ms2deepscore’s past year of commit activity
    Jupyter Notebook 80 Apache-2.0 30 6 (1 issue needs help) 3 Updated Mar 27, 2026
  • matchms Public

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

    matchms/matchms’s past year of commit activity
    Python 252 Apache-2.0 77 21 12 Updated Mar 26, 2026
  • graphconstructor Public

    Construction of graphs from similarity or distance metrics.

    matchms/graphconstructor’s past year of commit activity
    Python 1 MIT 0 5 4 Updated Mar 25, 2026
  • ms2query_2 Public

    Library for efficient fast search of unknown MS/MS spectra against a large reference dataset.

    matchms/ms2query_2’s past year of commit activity
    Python 0 MIT 0 1 3 Updated Mar 24, 2026
  • chemap Public

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

    matchms/chemap’s past year of commit activity
    Python 5 MIT 1 3 0 Updated Mar 9, 2026
  • sparsestack Public

    Memory efficient stack of multiple 2D sparse arrays.

    matchms/sparsestack’s past year of commit activity
    Python 4 MIT 5 6 2 Updated May 26, 2025
  • similarity-graph-generator Public

    Generation and processing of a graph from pairwise similarity measures.

    matchms/similarity-graph-generator’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Feb 11, 2025
  • matchms-docs Public

    User documentation and tutorial material for matchms

    matchms/matchms-docs’s past year of commit activity
    Jupyter Notebook 2 0 1 0 Updated Jun 13, 2024
  • matchmsextras Public

    additional network analysis functions for matchms

    matchms/matchmsextras’s past year of commit activity
    Python 6 Apache-2.0 2 6 2 Updated Aug 22, 2023
  • matchms-backup Public archive Forked from iomega/Spec2Vec_prototyping

    Python library for fuzzy comparison of mass spectrum data and other Python objects

    matchms/matchms-backup’s past year of commit activity
    Python 0 Apache-2.0 4 0 0 Updated May 20, 2020
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