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@SEDenmarkLab

SEDenmarkLab

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  1. irproc irproc Public

    IR spectra batch processing and plotting

    Python 2

Repositories

Showing 7 of 7 repositories
  • molli Public

    Molecular Library Toolbox

    SEDenmarkLab/molli’s past year of commit activity
    Jupyter Notebook 51 MIT 5 13 0 Updated Oct 29, 2024
  • Lucid_Somnambulist Public

    Active learning applied to Pd-catalyzed C-N couplings.

    SEDenmarkLab/Lucid_Somnambulist’s past year of commit activity
    Python 12 Apache-2.0 6 0 1 Updated Oct 25, 2024
  • molli-docs Public

    Documentation for molli package

    SEDenmarkLab/molli-docs’s past year of commit activity
    Jupyter Notebook 0 0 2 1 Updated Oct 23, 2024
  • molli_firstgen Public

    In silico library generation tool box

    SEDenmarkLab/molli_firstgen’s past year of commit activity
    Python 4 1 8 1 Updated Apr 2, 2024
  • BOX_VMA Public

    programs for BOX library construction and ligand selection

    SEDenmarkLab/BOX_VMA’s past year of commit activity
    Python 1 0 0 0 Updated Aug 28, 2023
  • Atropselective-Iodination Public
    SEDenmarkLab/Atropselective-Iodination’s past year of commit activity
    Python 1 0 0 0 Updated Dec 7, 2022
  • irproc Public

    IR spectra batch processing and plotting

    SEDenmarkLab/irproc’s past year of commit activity
    Python 2 0 2 0 Updated Apr 23, 2022

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