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.
- Sydney, Australia
- mrat1618.github.io
- @mrat1618
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oniom-vmd-visualisation
oniom-vmd-visualisation PublicVisualise Gaussian ONIOM inputs in VMD
Python 2
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WMCSameeraGroup/pyqmmm
WMCSameeraGroup/pyqmmm PublicPython interface for subtractive QM/MM calculations with AMOEBA polarizable force field using Gaussian16 and Tinker.
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