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19 followers · 32 following
  • McMaster University
  • Canada Hamilton

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Achievement: Arctic Code Vault Contributor

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Achievement: Arctic Code Vault Contributor

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  1. moha moha Public

    MOHA: MOlecular HAmiltonian

    Python 15 5

  2. itchem itchem Public

    ITchem: A Python package for computing information-theoretic quantities in chemical systems.

    1

  3. molgrid molgrid Public

    Grid: A Python library for generating real-space finite grids for DFT calculations.

    Jupyter Notebook 2

  4. gaint gaint Public

    GaInt: A Python package for molecular Gaussian Integrals evaluation.

    Python 9 2

  5. minidft minidft Public

    MiniDFT: A pedagogical implementation of Density Functional Theory from scratch.

    Python 1

  6. minihf minihf Public

    MiniHF: A pedagogical implementation of Hartree Fock calculation from scratch.

    1