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@WMCSameeraGroup

WMC Sameera Computational Chemistry Group

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  1. pyqmmm pyqmmm Public

    Python interface for subtractive QM/MM calculations with AMOEBA polarizable force field using Gaussian16 and Tinker.

    Python 5 2

  2. RPRA RPRA Public

    Rection Path Refinement Algorithm (RPRA)

    Python

  3. URPSA-DOC URPSA-DOC Public

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Showing 3 of 3 repositories
  • URPSA-DOC Public
    WMCSameeraGroup/URPSA-DOC’s past year of commit activity
    0 0 0 0 Updated Sep 18, 2024
  • RPRA Public

    Rection Path Refinement Algorithm (RPRA)

    WMCSameeraGroup/RPRA’s past year of commit activity
    Python 0 0 0 0 Updated Sep 10, 2024
  • pyqmmm Public

    Python interface for subtractive QM/MM calculations with AMOEBA polarizable force field using Gaussian16 and Tinker.

    WMCSameeraGroup/pyqmmm’s past year of commit activity
    Python 5 2 0 0 Updated May 12, 2024

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