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  1. pytorch/pytorch pytorch/pytorch Public

    Tensors and Dynamic neural networks in Python with strong GPU acceleration

    Python 78.8k 21.3k

  2. psi4/psi4 psi4/psi4 Public

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

    C++ 927 432

  3. xtensor-stack/xtensor xtensor-stack/xtensor Public

    C++ tensors with broadcasting and lazy computing

    C++ 3.2k 390

  4. psi4/psi4numpy psi4/psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 326 146