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  1. PLAMS PLAMS Public

    Forked from SCM-NV/PLAMS

    Python Library for Automating Molecular Simulations

    Python

  2. NMRLineshape NMRLineshape Public

    Calculates the NMR Lineshape of Linear Molecules

    Python 1

  3. CM5-calculator CM5-calculator Public

    Calculate CM5 charges from Hirshfeld charges.

    Python 1 1

  4. Python4ChemistryTools Python4ChemistryTools Public

    Python 5 1

  5. scripts4chemHPC scripts4chemHPC Public

    My set of useful scripts for chemistry software package in HPC

    Shell 3

  6. VASP-tools VASP-tools Public

    My collection of tools for pre- and post-processing VASP calculations

    Python 8 2

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