Lucky-Armin

Gaussian-Bond-Scan

PQ

PQAnalysis

PQAnalysis is a API/CLI python package for the analysis of MD simulations

PQEnalyzer

Analyzation of Molecular Dynamic Trajectories - PQ

traj_scan

advent-of-code

xyz_merger

C script to merge two .xyz trajectories of same lenght into one trajectory (frame by frame)

NEB

Code for creating intermediate structures as initial guesses for nudged elastic band calculations.

centroids_generator

git_training

An interactive git training meant to teach you how git works, not just which commands to execute