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  • Blacksburg, VA

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

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

    C++ 647 344

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

    Python 528 45

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

    Python 107 37

  4. Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 203 129

  5. Python-centric Cookiecutter for Molecular Computational Chemistry Packages

    Python 238 57

  6. gau2grid Public

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

    Python 21 10

2,452 contributions in the last year

Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec Jan Mon Wed Fri
Activity overview
Contributed to dgasmith/opt_einsum, psi4/psi4, psi4/psi4numpy and 5 other repositories

Contribution activity

January 2022

Created 2 commits in 1 repository
Reviewed 1 pull request in 1 repository
dgasmith/opt_einsum 1 pull request
76 contributions in private repositories Jan 2 – Jan 18

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