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@swcarpentry @psi4 @openforcefield @PyQC @MolSSI-Education @EntosAI


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

    C++ 488 291

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

    Python 349 32

  3. A distributed compute and database platform for quantum chemistry.

    Python 95 31

  4. Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 157 104

  5. Python-centric Cookiecutter for Molecular Computational Chemistry Packages

    Python 169 41

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

    Python 15 10

4,045 contributions in the last year

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Contribution activity

December 2020

Reviewed 1 pull request in 1 repository
24 contributions in private repositories Dec 1 – Dec 2

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