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Popular repositories Loading

  1. plotProfile plotProfile Public

    notebook to plot reaction profiles

    Jupyter Notebook 1

  2. pyQRC pyQRC Public

    Forked from patonlab/pyQRC

    Quick Reaction Coordinate using Python

    Python

  3. v v Public

    Forked from briling/v

    A simple X11 molecular viewer

    C

  4. GoodVibes GoodVibes Public

    Forked from patonlab/GoodVibes

    Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

    Python

  5. pyDFTD3 pyDFTD3 Public

    Forked from patonlab/pyDFTD3

    Python version of Grimme's D3-dispersion correction for Gaussian input/output

    Python

  6. practical-programming-in-chemistry-exercises practical-programming-in-chemistry-exercises Public

    Forked from schwallergroup/practical-programming-in-chemistry-exercises

    Jupyter Notebook