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.