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  1. ValeevGroup/mpqc ValeevGroup/mpqc Public

    The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.

    C++ 65 24

  2. xwang862.github.io xwang862.github.io Public

    A personal website to host my CV, publications, notes, derivations, code snippets, etc.

    Ruby

  3. psi4/psi4 psi4/psi4 Public

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++ 954 441

  4. ValeevGroup/tiledarray ValeevGroup/tiledarray Public

    A massively-parallel, block-sparse tensor framework written in C++

    C++ 249 51

  5. .dotfiles .dotfiles Public

    a collection of all important dotfiles

    Shell

  6. pyscf pyscf Public

    Forked from pyscf/pyscf

    Python module for quantum chemistry

    Python 2