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@NMReDATAInitiative NMReDATA Initiative

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    11 repositories

    • javatools

      Public
      Java programs for the NMReDATA format
      Java
      •
      GNU Lesser General Public License v3.0
      •3•3•0•0•Updated May 16, 2026May 16, 2026

    • NMReDATAInitiative.github.io

      Public
      Main NMReDATA web site
      nmredata
      nmredata
      SCSS
      •1•1•0•0•Updated May 16, 2026May 16, 2026

    • J-graph

      Public
      Graphical representations of NMR scalar coupling constants
      JavaScript
      •0•0•7•0•Updated Jun 16, 2025Jun 16, 2025

    • cdk

      Public
      The Chemistry Development Kit
      Java
      •
      GNU Lesser General Public License v2.1
      •175•0•0•0•Updated Dec 13, 2024Dec 13, 2024

    • color-map-J-coupling

      Public
      Color map for NMR homonuclear coupling constants.
      MIT License
      •0•0•0•0•Updated Jul 1, 2022Jul 1, 2022

    • decodeNMRspectra

      Public
      Code the NMR parameter (chem. shift, J's, NOE, etc.) present in NMR experiments
      0•0•1•0•Updated Jun 9, 2022Jun 9, 2022

    • Mnova_export_script

      Public
      This script, based on existing Mnova script was developped by Damien Jeannerat
      Qt Script
      •2•1•3•1•Updated Jun 15, 2021Jun 15, 2021

    • Examples-of-NMR-records

      Public
      Contains commented examples of NMReDATA files and records
      Java
      •1•0•1•0•Updated Nov 24, 2020Nov 24, 2020

    • ExtractionChemicalStructures

      Public
      Extraction and visualisation of 2D and 3D chemical structures
      JavaScript
      •0•1•0•0•Updated Mar 30, 2020Mar 30, 2020

    • Mnova_assignment_files

      Public
      Set of mnova files for use to test NMReDATA generation
      0•1•0•0•Updated Nov 7, 2019Nov 7, 2019

    • LSDnmredata

      Public
      Extension for LSD to use NMReDATA files
      Shell
      •0•1•0•0•Updated Oct 15, 2019Oct 15, 2019
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