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    19 repositories

    • mass2chem

      Public
      From mass to chemistry - common utilities in interpreting mass spectrometry data
      Python
      •
      Other
      •0•3•4•0•Updated Dec 23, 2024Dec 23, 2024

    • khipu

      Public
      a Python library for generalized, low-level annotation of MS metabolomics
      Python
      •
      Other
      •3•7•23•0•Updated Dec 13, 2024Dec 13, 2024

    • PythonCentricPipelineForMetabolomics

      Public
      Python pipeline for metabolomics data preprocessing, QC, standardization and annotation
      Jupyter Notebook
      •
      Other
      •1•9•22•0•Updated Dec 4, 2024Dec 4, 2024

    • asari

      Public
      asari, metabolomics data preprocessing
      Python
      •
      Other
      •11•44•31•0•Updated Nov 22, 2024Nov 22, 2024

    • Phosphatidylserine_analyses

      Public
      Scripts repo for metabolomics and lipidomics analyses of exhausted CD8+ T cells.
      Jupyter Notebook
      •
      MIT License
      •0•0•1•0•Updated Nov 14, 2024Nov 14, 2024

    • consensus_serum_metabolome

      Public
      Consensus serum metabolome by compiling large-scale public data
      Python
      •0•1•0•0•Updated Oct 30, 2024Oct 30, 2024

    • MANA2024

      Public
      Workshop Tutorial at MANA2024: Data Scientist on Jupyter
      Jupyter Notebook
      •1•1•0•0•Updated Oct 23, 2024Oct 23, 2024

    • data

      Public
      Data deposited for demo
      Jupyter Notebook
      •0•1•0•0•Updated Oct 22, 2024Oct 22, 2024

    • asari_pcpfm_tutorials

      Public
      Tutorials for Asari and PCPFM
      Jupyter Notebook
      •0•3•1•0•Updated Jul 20, 2024Jul 20, 2024

    • metDataModel

      Public
      Data models for metabolomics, made to reuse
      Python
      •
      Other
      •1•3•3•0•Updated Jul 14, 2024Jul 14, 2024

    • ChemoselectiveDerivatizationTools

      Public
      Python
      •0•0•0•0•Updated May 23, 2024May 23, 2024

    • JMS

      Public
      Json's Metabolite Services
      Python
      •
      MIT License
      •1•1•18•0•Updated May 7, 2024May 7, 2024

    • matchms

      Public
      Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
      Python
      •
      Apache License 2.0
      •65•0•0•0•Updated Nov 6, 2023Nov 6, 2023

    • pcpfm_extras

      Public
      0•0•0•0•Updated Oct 26, 2023Oct 26, 2023

    • .github

      Public
      Computational Metabolomics
      GNU General Public License v3.0
      •0•2•0•0•Updated Mar 25, 2023Mar 25, 2023

    • docker-metabolomics

      Public
      Dockerfiles for metabolomics tools
      Dockerfile
      •0•1•0•0•Updated Aug 2, 2021Aug 2, 2021

    • Notebooks-computational-metabolomics

      Public
      Notebooks in computational metabolomics
      HTML
      •
      BSD 3-Clause "New" or "Revised" License
      •3•13•0•0•Updated Jun 23, 2021Jun 23, 2021

    • cookiecutter-data-science-min

      Public
      Minimal cookiecutter template for data science projects
      Python
      •
      MIT License
      •1•1•0•0•Updated Dec 16, 2019Dec 16, 2019

    • espol-workshop

      Public
      5-day workshop on Metabolomics and Data Analysis
      HTML
      •6•16•1•0•Updated Sep 1, 2019Sep 1, 2019