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  • Georgia Institute of Technology

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  1. pchem-II-lab pchem-II-lab Public

    Semester-long series of (quantum) physical chemistry teaching labs, implemented as Jupyter Notebooks

    Jupyter Notebook 2 1

  2. ccbatchman ccbatchman Public

    Utilities for managing batch computational chemistry jobs in a SLURM environment

    Python

  3. pydft-qmmm pydft-qmmm Public

    Forked from johnppederson/pydft-qmmm

    Python

0