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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 Public

    IUPAC SMILES+ Specification

    Jupyter Notebook 38 9

  2. IUPAC-FAIRSpec Public

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

    Java 6 2

  3. MInChI Public

    4 3

  4. Dissociation-Constants Public

    This repository includes pKa data digitized and curated from reference books published by IUPAC.

    Jupyter Notebook 46 4

Repositories

Showing 8 of 8 repositories
  • IUPAC-FAIRSpec Public

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

    Java 6 MIT 2 0 1 Updated Feb 18, 2025
  • WFChemCookbook Public

    The IUPAC WorldFAIR Cookbook for FAIR chemical data

    Jupyter Notebook 25 CC-BY-4.0 7 5 4 Updated Dec 30, 2024
  • Dissociation-Constants Public

    This repository includes pKa data digitized and curated from reference books published by IUPAC.

    Jupyter Notebook 46 4 2 0 Updated Oct 24, 2024
  • IUPAC_SMILES_plus Public

    IUPAC SMILES+ Specification

    Jupyter Notebook 38 9 5 1 Updated Dec 12, 2023
  • WFChemProtocols Public

    IUPAC WorldFair Chemistry Protocol Services

    HTML 2 1 0 0 Updated Oct 26, 2023
  • JCAMP-DX Public

    JCAMP-DX: IUPAC standard for spectral data exchange

    Roff 2 5 0 0 Updated Dec 9, 2022
  • MInChI Public
    4 3 0 0 Updated Jan 7, 2022
  • MInChI_demo Public
    JavaScript 3 0 0 0 Updated Apr 16, 2021