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  1. Matplotlib-LaTeX-Tables-and-Desmos-Scatter-Plots Matplotlib-LaTeX-Tables-and-Desmos-Scatter-Plots Public

  2. PySCF-Atomic-Energy-Calculations PySCF-Atomic-Energy-Calculations Public

    Repository with Python code for PySCF-BSE-Matplotlib calculations of restricted Hartree-Fock atomic energy for elements from He-Xe, using STO-2G, STO-3G, STO-4G, STO-5G, and STO-6G basis sets.

    Jupyter Notebook

  3. PySCF-Molecular-Calculations PySCF-Molecular-Calculations Public

    Jupyter Notebook

  4. qm9-xyz-Geometries qm9-xyz-Geometries Public

    List of .xyz file (XYZ format) molecule geometries for common organic and inorganic molecules, for quantum chemistry calculation purposes.

  5. RICMLipidSimulations RICMLipidSimulations Public

    IRM RICM simulation programs in Python and Matlab for lipid multilayers

    Python