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  • McMaster University
  • Florida, US

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  1. fanpy fanpy Public

    Framework for rapid prototyping of new wavefunction ansatz and other ab initio methods for the time-independent Schrodinger equation

    Python 4

  2. theochem/gbasis theochem/gbasis Public

    Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.

    Jupyter Notebook 39 22

  3. docinstance docinstance Public

    Docstring wrapper to inherit components from the docstrings of parent class

    Python

  4. theochem/chemtools theochem/chemtools Public

    A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.

    Python 48 22