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Popular repositories

  1. chemscripts

    Collection of scripts for dealing with the outputs of various quantum chemical calculations

    Python

  2. JOB-SETUP_TM721

    This is a tool for creating Turbomole 7.2.1 jobs

    Shell

  3. uniform_colour_maps_origin

    CET Perceptually Uniform Colour Maps - Formatted for Origin

  4. PythonWorkshop

    Forked from Sheffield-Theoretical-Chemistry/PythonWorkshop

    Jupyter notebooks for theory cluster python workshops

    Jupyter Notebook

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February 2019

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January 2019

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