MONET: Molecular Dynamics Extractor & Analyzer

MONET (Molecular Dynamics Extractor & Analyzer) is a tool for analyzing molecular dynamics trajectories, both classical and ab initio, along with the properties of the simulated system. Built on top of the ASE and MDAnalysis libraries, it adds custom features such as the calculation of autocorrelation functions and thermal ellipsoids. These analyses serve both to validate simulations and to quickly compare results with experimental data. MONET can also extract statistically uncorrelated configurations along the trajectory, enabling a targeted analysis of individual molecular structures. Finally, a Python plugin system lets users extend its functionality to suit their own needs.