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@alexandrova-lab-ucla

Alexandrova Lab UCLA

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  1. phd3 phd3 Public

    QM/DMD engine. Protein Hybrid Discrete Dynamics/DFT

    Python 6 3

  2. ML_QTAIM ML_QTAIM Public

    Jupyter Notebook 3 2

  3. FormatPDB FormatPDB Public archive

    Fixes the format of PDB file types to make them uniform for other scripts.

    Python 1

  4. ProteinRMSF ProteinRMSF Public archive

    Calculates the RMSF for the atoms within the QM region of a QM/DMD job as well as the whole protein.

    Python 1

  5. dmdpy dmdpy Public archive

    yeet (•_•) ( •_•)>⌐■-■ (⌐■_■)

    Python 1

  6. ProteinElectricField ProteinElectricField Public archive

    C++

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