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  1. scanberg/viamd scanberg/viamd Public

    Visual Interactive Analysis of Molecular Dynamics

    C++ 326 33

  2. VeloxChem/VeloxChem VeloxChem/VeloxChem Public

    VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectroscopies from response theory.

    C++ 60 16

  3. kthpanor/echem kthpanor/echem Public

    eChem: Jupyter book on theoretical chemistry

    Jupyter Notebook 114 27

  4. VeloxChem/vlxman VeloxChem/vlxman Public

    Website documentation for the VeloxChem program.

    TeX 17 3

  5. VeloxChem/vlx-notebook VeloxChem/vlx-notebook Public

    This repository contains a collection of Jupyter Notebooks and input files used to demonstrate VeloxChem capabilities. Each folder correspond to a specific event (conference, article, school, ..)

    Jupyter Notebook 4 1