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1. PyGFN0 PyGFN0 Public

   Python wrapper for GFN0 based on F2PY. https://pypi.org/project/pygfn0

   Fortran 1

2. PyGFNFF PyGFNFF Public

   Python wrapper for GFN-FF based on F2PY. https://pypi.org/project/pygfnff

   Fortran 2 1

3. GraphAtoms GraphAtoms Public

   The Chemical Core Class for Graph Theory Analysis.

   Python

4. Adsorption Adsorption Public

   The Python package for the adsorption of molecules on clusters or surfaces.

   Python

5. Utils4HPC Utils4HPC Public

   Some Scripts for HPC.

   Python

6. PythonScripts PythonScripts Public

   Some python scripts that can be run directly!

   Python