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    53 repositories

    • knowledge_base

      Public
      A place for all knowledge regarding Research Data Management (RDM) in Chemistry
      knowledge-baserdmnfdi
      knowledge-baserdmnfdinfdi4chem
      JavaScript
      •
      Other
      •29•11•12•1•Updated Sep 10, 2026Sep 10, 2026

    • basis-set-exchange-ontology

      Public
      An ontologization of the Basis Set Exchange to support the FAIR annotation of computational chemistry experiments
      pythonrobotchemistry
      pythonrobotchemistryowldensity-functional-theorycomputational-chemistryobohartree-fockobofoundry
      Python
      •
      Creative Commons Zero v1.0 Universal
      •1•0•4•5•Updated Sep 10, 2026Sep 10, 2026

    • nmrxiv

      Public
      nmrXiv is currently developed as the FAIR, consensus-driven NMR data repository and computational platform. The ultimate goal is to accelerate broader coordinat…
      nmrnmr-datanfdi4chem
      nmrnmr-datanfdi4chem
      PHP
      •
      MIT License
      •6•22•39•7•Updated Sep 10, 2026Sep 10, 2026

    • ms_dcat_ap

      Public
      Python
      •
      MIT License
      •0•0•0•1•Updated Sep 9, 2026Sep 9, 2026

    • obi

      Public
      The Ontology for Biomedical Investigations
      Python
      •
      Creative Commons Attribution 4.0 International
      •36•0•0•0•Updated Sep 8, 2026Sep 8, 2026

    • nmrxiv-notebooks

      Public
      Jupyter Notebook
      •
      MIT License
      •0•1•1•0•Updated Sep 7, 2026Sep 7, 2026

    • workshops

      Public
      NFDI4Chem is dedicated to the development of MIChI standards across various disciplines within the field of Chemistry. This website serves as a documentation hu…
      workshopsstandardsmichi
      workshopsstandardsmichi
      JavaScript
      •
      MIT License
      •0•0•19•0•Updated Sep 7, 2026Sep 7, 2026

    • nmrkit

      Public
      A collection of powerful micro services designed to simplify your NMR data processing and analysis
      Python
      •
      MIT License
      •3•8•12•1•Updated Sep 1, 2026Sep 1, 2026

    • nmrium

      Public
      React component to display and process nuclear magnetic resonance (NMR) spectra.
      TypeScript
      •
      MIT License
      •34•0•0•0•Updated Sep 1, 2026Sep 1, 2026

    • nmrium-react-wrapper

      Public
      A wrapper around NMRium react component to enable seamless integration into third-party applications built on any modern framework.
      nmr-spectroscopynmr-tools
      nmr-spectroscopynmr-tools
      TypeScript
      •
      MIT License
      •4•11•1•1•Updated Aug 27, 2026Aug 27, 2026

    • Chemistry-specific_README_template_data_publications

      Public
      Chemistry-specific README template for data publications. Developed by NFDI4Chem to improve FAIR metadata, data provenance, and documentation across chemistry r…
      Creative Commons Zero v1.0 Universal
      •0•0•0•0•Updated Aug 25, 2026Aug 25, 2026

    • Ontologies4Chem2026

      Public
      Repository to organize the Ontologies4Chem Workshop 2026
      GNU General Public License v3.0
      •0•4•4•0•Updated Jun 10, 2026Jun 10, 2026

    • rsc-cmo

      Public
      Chemical Methods Ontology
      Makefile
      •
      Creative Commons Attribution 4.0 International
      •10•0•0•0•Updated Jun 2, 2026Jun 2, 2026

    • rxno

      Public
      Name Reaction Ontology
      Creative Commons Attribution 4.0 International
      •14•0•7•0•Updated May 27, 2026May 27, 2026

    • vibspecdb

      Public
      Vibspecdb
      Vue
      •
      MIT License
      •0•0•0•0•Updated Apr 14, 2026Apr 14, 2026

    • oai4schemas

      Public
      This repo contains a XML schema that can embed JSON+LD (bio)schema metadata, crosswalks and examples. They are designed to work with https://radar.products.fiz-…
      Shell
      •
      Apache License 2.0
      •1•2•2•0•Updated Apr 14, 2026Apr 14, 2026

    • cs-ms-converter

      Public
      The NFDI4Chem converter service is a REST API and Python server implementation to convert mass spectrometry data from various instrument vendors and converts in…
      mass-spectrometrymzml
      mass-spectrometrymzml
      Python
      •
      MIT License
      •3•3•1•0•Updated Apr 8, 2026Apr 8, 2026

    • semanticchemistry

      Public
      Chemical Information Ontology
      Java
      •
      Creative Commons Zero v1.0 Universal
      •11•0•0•1•Updated Jan 26, 2026Jan 26, 2026

    • nmrxiv-nodejs-microservice

      Public
      API Service To Process Spectra from various data formats to NMRium format.
      TypeScript
      •0•0•1•1•Updated Jan 21, 2026Jan 21, 2026

    • VibrationalSpectroscopyOntology

      Public
      WORK IN PROGRESS - The Vibration Spectroscopy Ontology defines technical terms with which research data produced in vibrational spectroscopy experiments can be …
      owlontologyraman-spectroscopy
      owlontologyraman-spectroscopyontology-development-kitnfdi4chem
      Makefile
      •
      Creative Commons Attribution 4.0 International
      •7•9•18•4•Updated Jan 6, 2026Jan 6, 2026

    • nmr-dcat-ap

      Public
      DCAT Application Profile that formalizes the NFDI4Chem Minimum information about chemical investigation stAndard foR reportinG liquid-stAte nmR experImenTs of s…
      dcat-apshacl-shapeslinkml
      dcat-apshacl-shapeslinkmllinkml-schemadcat-ap-plus
      Python
      •
      MIT License
      •0•2•0•5•Updated Dec 1, 2025Dec 1, 2025

    • cs-documentation

      Public
      The NFDI4Chem converter service is a REST API and Python server implementation to convert mass spectrometry data from various instrument vendors and converts in…
      mass-spectrometrymzml
      mass-spectrometrymzml
      JavaScript
      •0•0•0•0•Updated Nov 16, 2025Nov 16, 2025

    • nmr-platform

      Public
      PHP
      •0•3•1•1•Updated Oct 15, 2025Oct 15, 2025

    • dcat-ms-ap

      Public
      A dcat ap implementing the recommondations fo the MS MIChI
      Python
      •
      MIT License
      •0•0•0•0•Updated Sep 8, 2025Sep 8, 2025

    • repo-helm-charts

      Public
      Packaging of nmrxiv and vibspecdb repository application for Kubernetes as Helm Charts.
      kuberneteschartshelm
      kuberneteschartshelmhelm-charts
      Smarty
      •1•2•5•0•Updated Aug 15, 2025Aug 15, 2025

    • mop

      Public
      The Molecular Process Ontology (MOP) contains the molecular processes that underlie the Named Reaction Ontology (RXNO), for example cyclization, methylation and…
      0•0•0•0•Updated Jul 2, 2025Jul 2, 2025

    • GC-Ontology-Mirror

      Public
      1•0•1•0•Updated Jun 17, 2025Jun 17, 2025

    • workshop_maps

      Public
      Python
      •1•0•0•0•Updated Apr 14, 2025Apr 14, 2025

    • helm-charts

      Public
      Helm charts to deploy applications to Kubernetes clusters
      Smarty
      •
      Apache License 2.0
      •3•4•0•0•Updated Feb 14, 2025Feb 14, 2025

    • cs-ms-converter-Helmchart

      Public
      The NFDI4Chem converter service is a REST API and Python server implementation to convert mass spectrometry data from various instrument vendors and converts in…
      MIT License
      •0•0•0•0•Updated Feb 13, 2025Feb 13, 2025
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