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@WMCSameeraGroup

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mrat1618/README.md

Hi there 👋

I am a computational chemist by training and a Python enthusiast from Sydney. I'm interested in force field development, computer-aided drug development and scientific software development.

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  1. oniom-vmd-visualisation oniom-vmd-visualisation Public

    Visualise Gaussian ONIOM inputs in VMD

    Python 2

  2. WMCSameeraGroup/pyqmmm WMCSameeraGroup/pyqmmm Public

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

    Python 5 2