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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