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Achievement: Pull Shark

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Achievement: Pull Shark

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  1. popelier-group/REG popelier-group/REG Public

    Relative Energy Gradient method (Paul Popelier group: The University of Manchester)

    Python 4 1

  2. popelier-group/PyMol-REG popelier-group/PyMol-REG Public

    Visualisation of REG results through PyMol GUI

    Python

  3. PyMol_SphericalHarmonics PyMol_SphericalHarmonics Public

    Spherical Harmonics plugin/extension for PyMol

    Python

  4. popelier-group/PyMol-QTAIM popelier-group/PyMol-QTAIM Public

    PyMol-QTAIM visualiser plugin

    Python 2 1

  5. popelier-group/ichor popelier-group/ichor Public

    Computational Chemistry Data Management Library for Machine Learning Force Field Development

    Python 16 10