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@pyscf

pyscf

Popular repositories

  1. pyscf pyscf Public

    Python module for quantum chemistry

    Python 1.1k 544

  2. gpu4pyscf gpu4pyscf Public

    A plugin to use Nvidia GPU in PySCF package

    Cuda 102 18

  3. mpi4pyscf mpi4pyscf Public

    MPI parallelization for PySCF

    Python 32 16

  4. pyscf-forge pyscf-forge Public

    pyscf-forge is a collection of extensions for pyscf

    Python 20 14

  5. pyscf.github.io pyscf.github.io Public

    PySCF website and documentation

    TeX 17 39

  6. PySCF_Tutorial PySCF_Tutorial Public

    Forked from nmardirossian/PySCF_Tutorial

    Jupyter Notebook 12 9

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