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@The-Schultz-Lab

The Schultz Lab

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  1. 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 2 1

  2. 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

  3. 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 1

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