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Hi there πŸ‘‹

I am a computational chemist from Innsbruck, Austria, currently living in Switzerland. I am a member of @rinikerlab, where I am doing my Postdoc. Before that, I was a member of @liedllab in Innsbruck, where I did my PhD.

These are the repositories where I am the main (or one of the main) contributors:

  • gisttools - for post-processing Grid Inhomogeneous Solvation Theory calculations (GIST)
  • second-disorder - a Python implementation of second-order corrections for GIST
  • PEP-Patch - a Python tool to visualize electrostatic and hydrophobic surfaces of large molecules
  • msms-wrapper - A simple Python wrapper for the msms program by Michel Sanner
  • macrocycle-ff-validation - Code and data for my paper on force field validation for macrocycles.

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