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@FAIRChemistry

FAIR Chemistry

FAIR research data management in chemistry.

Welcome to the FAIR Chemistry GitHub!

The purpose of FAIR Chemistry is to provide software tools that facilitate the streamlined analysis of (catalytic) chemical sciences and yield structured data. This organization hosts a variety of tools and repositories aimed at advancing FAIR and sustainable research in chemistry.

📝 Data Modeling Tool: md-models

md-models is a tool that leverages markdown-based schema definitions to automatically generate technical schemas and programming language implementations. It makes complex data modeling more intuitive and accessible, streamlines research data management, and upholds professional standards.

⚙️ Data Processing / Analysis Tools

  • SAS-tools
    A suite of utilities for handling data from small-angle scattering (SAS) experiments.

  • chromhandler
    Streamlines processing, metadata enrichment, and conversion of chromatographic data into EnzymeML format.

  • FAIRVibSpec
    A toolkit for the analysis of pyridine-adsorbed FT-IR spectra.

  • CaliPytion
    A tool for managing and analyzing calibration measurement data for concentration calculations.

  • MTPHandler
    Processes, enriches, and converts microtiter plate data into standardized EnzymeML time-course data.

🤝 Contributing

Contributions are welcome and encouraged! If you’d like to help improve these tools, please submit a pull request with your enhancements or bug fixes. Alternatively, feel free to open an issue to report problems, propose features, or initiate discussions about improvements.

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  1. md-models md-models Public

    ⚒️ - Rust parser for markdown data models

    Rust 10 2

  2. SAS-tools SAS-tools Public

    Various tools to work with and manage data from SAXS and SANS experiments according to the FAIR principles.

    Python 2

  3. Chromhandler Chromhandler Public

    🌈 chromhandler is a Python package designed to streamline the processing and analysis of chromatographic data, enabling efficient metadata enrichment and conversion to EnzymeML format for further a…

    Python 5

  4. MTPHandler MTPHandler Public

    🔬 mtphandler is Python package for processing, enriching, and converting microtiter plate data into standardized EnzymeML time-course data, ready for data science

    Python 3 2

  5. CaliPytion CaliPytion Public

    🧑‍🔬 Tool for managing and analyzing data from calibration measurements for subsequent concentration calculaton

    Python 1

Repositories

Showing 10 of 35 repositories
  • .github Public
    FAIRChemistry/.github’s past year of commit activity
    0 0 0 0 Updated Dec 12, 2025
  • FAIRVibSpec Public

    Toolkit for the analysis of vibrational spectroscopy, particularily FT-IR with and without pyridine-adsorption, as well as Raman.

    FAIRChemistry/FAIRVibSpec’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Dec 3, 2025
  • MTPHandler Public

    🔬 mtphandler is Python package for processing, enriching, and converting microtiter plate data into standardized EnzymeML time-course data, ready for data science

    FAIRChemistry/MTPHandler’s past year of commit activity
    Python 3 MIT 2 1 1 Updated Nov 20, 2025
  • Chromhandler Public

    🌈 chromhandler is a Python package designed to streamline the processing and analysis of chromatographic data, enabling efficient metadata enrichment and conversion to EnzymeML format for further analysis.

    FAIRChemistry/Chromhandler’s past year of commit activity
    Python 5 MIT 0 4 0 Updated Oct 28, 2025
  • md-models Public

    ⚒️ - Rust parser for markdown data models

    FAIRChemistry/md-models’s past year of commit activity
    Rust 10 MIT 2 3 0 Updated Oct 19, 2025
  • CaliPytion Public

    🧑‍🔬 Tool for managing and analyzing data from calibration measurements for subsequent concentration calculaton

    FAIRChemistry/CaliPytion’s past year of commit activity
    Python 0 1 1 0 Updated Sep 25, 2025
  • py-mdmodels Public
    FAIRChemistry/py-mdmodels’s past year of commit activity
    Python 2 1 0 0 Updated Sep 24, 2025
  • FAIRFlow Public
    FAIRChemistry/FAIRFlow’s past year of commit activity
    Python 0 1 0 0 Updated Sep 21, 2025
  • FAIRFluids Public
    FAIRChemistry/FAIRFluids’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Aug 22, 2025
  • FAIRChemistry/mdmodels-editor’s past year of commit activity
    TypeScript 0 1 0 0 Updated Aug 18, 2025

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