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pyscf

4 indexed repositories · View on GitHub

• pyscf

  Python module for quantum chemistry

  Python · 1676 stars

• gpu4pyscf

  A plugin to use Nvidia GPU in PySCF package

  Cuda · 351 stars

• pyscf-forge

  pyscf-forge is a staging ground for code that may be suitable for pyscf-core

  Python · 55 stars

• pyscf.github.io

  PySCF website and documentation

  TeX · 41 stars