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The public wiki for the Molecular Informatics group at the University of Vienna
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
A tool for forensic file system reconstruction.
Scores for Hydrophobicity and Charges based on SASAs
PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
This package contains tools for setting up hybrid-topology FE calculations
lucaji / pikrellcam
Forked from billw2/pikrellcamMotion detection and Environmental Sensor Data Logger on RPi
A fast solver for large scale MBAR/UWHAM equations
OpenMM is a toolkit for molecular simulation using high performance GPU code.
A collection of modern/faster/saner alternatives to common unix commands.
Command-line productivity booster, offers quick access to files and directories, inspired by autojump, z and v.
Clone a Spotify playlist to YouTube Music
Interactive e-book for Python to C++ transition
Another LaTeX template for a resume/CV.
Firefox Addon for converting USCS sites to Metric / SI
Docker container to build Ubuntu Mainline kernels for use on 20.04 LTS
Image-to-Image Translation in PyTorch