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    12 repositories

    • matchms

      Public
      Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
      analysisfuzzy-searchfuzzy-matching
      analysisfuzzy-searchfuzzy-matchingpython3similarity-measuresmetabolomicsmass-spectrometry
      Python
      •
      Apache License 2.0
      •81•259•11•9•Updated Jun 12, 2026Jun 12, 2026

    • chemap

      Public
      Library for computing molecular fingerprint based similarities as well as dimensionality-reduction-based chemical space visualizations.
      cheminformaticsdata-visualization
      cheminformaticsdata-visualization
      Python
      •
      MIT License
      •2•7•3•0•Updated Jun 8, 2026Jun 8, 2026

    • sparsestack

      Public
      Memory efficient stack of multiple 2D sparse arrays.
      Python
      •
      MIT License
      •6•4•6•2•Updated Jun 8, 2026Jun 8, 2026

    • graphconstructor

      Public
      Construction of graphs from similarity or distance metrics.
      Python
      •
      MIT License
      •0•1•5•0•Updated May 28, 2026May 28, 2026

    • ms2deepscore

      Public
      Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
      Jupyter Notebook
      •
      Apache License 2.0
      •31•85•6•2•Updated Apr 20, 2026Apr 20, 2026

    • ms2query_2

      Public
      Library for efficient fast search of unknown MS/MS spectra against a large reference dataset.
      Python
      •
      MIT License
      •0•0•1•3•Updated Mar 31, 2026Mar 31, 2026

    • similarity-graph-generator

      Public
      Generation and processing of a graph from pairwise similarity measures.
      Jupyter Notebook
      •
      MIT License
      •0•1•0•0•Updated Feb 11, 2025Feb 11, 2025

    • matchms-docs

      Public
      User documentation and tutorial material for matchms
      Jupyter Notebook
      •
      Other
      •0•2•1•0•Updated Jun 13, 2024Jun 13, 2024

    • matchmsextras

      Public
      additional network analysis functions for matchms
      Python
      •
      Apache License 2.0
      •2•6•6•2•Updated Aug 22, 2023Aug 22, 2023

    • matchms-backup

      Public archive
      Python library for fuzzy comparison of mass spectrum data and other Python objects
      pythonfuzzy-searchfuzzy-matching
      pythonfuzzy-searchfuzzy-matchingsimilarity-measuresmass-spectrometry
      Python
      •
      Apache License 2.0
      •4•0•0•0•Updated May 20, 2020May 20, 2020

    • old-iomega-spec2vec

      Public archive
      unrefactored spec2vec code from iomega org
      Python
      •
      Apache License 2.0
      •1•0•0•0•Updated Apr 11, 2020Apr 11, 2020

    • notebooks

      Public archive
      Jupyter notebook with matchms tutorial.
      Jupyter Notebook
      •
      Apache License 2.0
      •1•2•0•0•Updated Apr 6, 2020Apr 6, 2020
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