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Achievements

Achievement: Pair Extraordinairex4Achievement: YOLOAchievement: Pull Sharkx4Achievement: QuickdrawAchievement: Starstruckx3Achievement: Mars 2020 ContributorAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair Extraordinairex4Achievement: YOLOAchievement: Pull Sharkx4Achievement: QuickdrawAchievement: Starstruckx3Achievement: Mars 2020 ContributorAchievement: Arctic Code Vault Contributor

Organizations

@psi4 @openforcefield @PyQC

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  1. psi4/psi4 psi4/psi4 Public

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

    C++ 1k 455

  2. opt_einsum opt_einsum Public

    ⚡️Optimizing einsum functions in NumPy, Tensorflow, Dask, and more with contraction order optimization.

    Python 868 69

  3. MolSSI/QCFractal MolSSI/QCFractal Public

    A distributed compute and database platform for quantum chemistry.

    Python 149 48

  4. psi4/psi4numpy psi4/psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 351 160

  5. MolSSI/cookiecutter-cms MolSSI/cookiecutter-cms Public

    Python-centric Cookiecutter for Molecular Computational Chemistry Packages

    Python 405 90

  6. gau2grid gau2grid Public

    Fast computation of a gaussian and its derivative on a grid.

    Python 29 17