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@The-Schultz-Lab

The Schultz Lab

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  1. QuantUI QuantUI Public

    QuantUI puts PySCF behind an interactive Jupyter/Voilà UI. Run DFT, MP2, TD-DFT, NMR, geometry optimization, frequencies, and PES scans — visualize structures, orbitals, IR and UV-Vis spectra, all …

    Python 2 2

  2. plotlyMol plotlyMol Public

    Forked from ProfLear/plotlyMol

    Interactive 3D molecular visualization in Python — ball-and-stick, VDW, orbital rendering, and a Dash GUI. Built on Plotly and RDKit.

    Python 1 1

  3. plottle plottle Public

    A general-purpose Python toolkit for scientific data visualization and analysis, developed for research and teaching in computational science at North Carolina Central University.

    Python 1 2

Repositories

Showing 3 of 3 repositories
  • QuantUI Public

    QuantUI puts PySCF behind an interactive Jupyter/Voilà UI. Run DFT, MP2, TD-DFT, NMR, geometry optimization, frequencies, and PES scans — visualize structures, orbitals, IR and UV-Vis spectra, all on your laptop.

    The-Schultz-Lab/QuantUI's past year of commit activity
    Python 2 MIT 2 0 3 Updated Oct 14, 2026
  • plotlyMol Public Forked from ProfLear/plotlyMol

    Interactive 3D molecular visualization in Python — ball-and-stick, VDW, orbital rendering, and a Dash GUI. Built on Plotly and RDKit.

    The-Schultz-Lab/plotlyMol's past year of commit activity
    Python 1 MIT 2 0 6 Updated Aug 31, 2026
  • plottle Public

    A general-purpose Python toolkit for scientific data visualization and analysis, developed for research and teaching in computational science at North Carolina Central University.

    The-Schultz-Lab/plottle's past year of commit activity
    Python 1 MIT 2 0 9 Updated Jul 31, 2026

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