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@IUPAC

International Union of Pure and Applied Chemistry

The world authority on chemical nomenclature & terminology, the naming of the elements, standardized methods for measurement, and critical chemical data

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  1. IUPAC_SMILES_plus IUPAC_SMILES_plus Public

    IUPAC SMILES+ Specification

    Jupyter Notebook 42 9

  2. IUPAC-FAIRSpec IUPAC-FAIRSpec Public

    IUPAC Project 2019-031-1-024 FAIR Spectroscopy Data Specification

    JavaScript 12 2

  3. MInChI MInChI Public

    5 3

  4. Dissociation-Constants Dissociation-Constants Public

    This repository includes pKa data obtained from measurements in aqueous solutions, digitized and curated from reference books published by IUPAC.

    Jupyter Notebook 87 9

Repositories

Showing 8 of 8 repositories
  • Dissociation-Constants Public

    This repository includes pKa data obtained from measurements in aqueous solutions, digitized and curated from reference books published by IUPAC.

    IUPAC/Dissociation-Constants’s past year of commit activity
    Jupyter Notebook 87 9 3 0 Updated Mar 19, 2026
  • IUPAC-FAIRSpec Public

    IUPAC Project 2019-031-1-024 FAIR Spectroscopy Data Specification

    IUPAC/IUPAC-FAIRSpec’s past year of commit activity
    JavaScript 12 MIT 2 0 0 Updated Mar 2, 2026
  • WFChemCookbook Public

    The IUPAC WorldFAIR Cookbook for FAIR chemical data

    IUPAC/WFChemCookbook’s past year of commit activity
    Jupyter Notebook 29 CC-BY-4.0 9 9 4 Updated Jan 23, 2026
  • IUPAC_SMILES_plus Public

    IUPAC SMILES+ Specification

    IUPAC/IUPAC_SMILES_plus’s past year of commit activity
    Jupyter Notebook 42 9 5 1 Updated Dec 12, 2023
  • WFChemProtocols Public

    IUPAC WorldFair Chemistry Protocol Services

    IUPAC/WFChemProtocols’s past year of commit activity
    HTML 2 1 0 0 Updated Oct 26, 2023
  • JCAMP-DX Public

    JCAMP-DX: IUPAC standard for spectral data exchange

    IUPAC/JCAMP-DX’s past year of commit activity
    Roff 3 7 0 2 Updated Dec 9, 2022
  • MInChI Public
    IUPAC/MInChI’s past year of commit activity
    5 3 1 0 Updated Jan 7, 2022
  • MInChI_demo Public
    IUPAC/MInChI_demo’s past year of commit activity
    JavaScript 3 0 0 0 Updated Apr 16, 2021

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