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@NMReDATAInitiative

NMReDATA Initiative

Initiative to define a format for the NMR data extracted from NMR spectra of organic chemical compounds

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  1. javatools javatools Public

    Java programs for the NMReDATA format

    Java 3 2

  2. Mnova_export_script Mnova_export_script Public

    This script, based on existing Mnova script was developped by Damien Jeannerat

    Qt Script 1 2

  3. NMReDATAInitiative.github.io NMReDATAInitiative.github.io Public

    Main NMReDATA web site

    SCSS 1 1

  4. Mnova_assignment_files Mnova_assignment_files Public

    Set of mnova files for use to test NMReDATA generation

    1

  5. LSDnmredata LSDnmredata Public

    Extension for LSD to use NMReDATA files

    Shell 1

  6. ExtractionChemicalStructures ExtractionChemicalStructures Public

    Extraction and visualisation of 2D and 3D chemical structures

    JavaScript 1

Repositories

Showing 10 of 11 repositories
  • cdk Public Forked from cdk/cdk

    The Chemistry Development Kit

    NMReDATAInitiative/cdk’s past year of commit activity
    Java 0 LGPL-2.1 167 0 2 Updated Nov 12, 2024
  • J-graph Public

    Graphical representations of NMR scalar coupling constants

    NMReDATAInitiative/J-graph’s past year of commit activity
    JavaScript 0 0 7 (2 issues need help) 0 Updated Oct 21, 2024
  • javatools Public

    Java programs for the NMReDATA format

    NMReDATAInitiative/javatools’s past year of commit activity
    Java 3 LGPL-3.0 2 0 1 Updated Oct 3, 2024
  • NMReDATAInitiative.github.io Public

    Main NMReDATA web site

    NMReDATAInitiative/NMReDATAInitiative.github.io’s past year of commit activity
    SCSS 1 CC0-1.0 1 1 1 Updated Mar 19, 2024
  • color-map-J-coupling Public

    Color map for NMR homonuclear coupling constants.

    NMReDATAInitiative/color-map-J-coupling’s past year of commit activity
    0 MIT 0 0 0 Updated Jul 1, 2022
  • decodeNMRspectra Public

    Code the NMR parameter (chem. shift, J's, NOE, etc.) present in NMR experiments

    NMReDATAInitiative/decodeNMRspectra’s past year of commit activity
    0 0 0 0 Updated Jun 9, 2022
  • Mnova_export_script Public

    This script, based on existing Mnova script was developped by Damien Jeannerat

    NMReDATAInitiative/Mnova_export_script’s past year of commit activity
    Qt Script 1 2 3 (3 issues need help) 1 Updated Jun 15, 2021
  • Examples-of-NMR-records Public

    Contains commented examples of NMReDATA files and records

    NMReDATAInitiative/Examples-of-NMR-records’s past year of commit activity
    Java 0 1 0 0 Updated Nov 24, 2020
  • ExtractionChemicalStructures Public

    Extraction and visualisation of 2D and 3D chemical structures

    NMReDATAInitiative/ExtractionChemicalStructures’s past year of commit activity
    JavaScript 1 0 0 0 Updated Mar 30, 2020
  • Mnova_assignment_files Public

    Set of mnova files for use to test NMReDATA generation

    NMReDATAInitiative/Mnova_assignment_files’s past year of commit activity
    1 0 0 0 Updated Nov 7, 2019
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