matmacore documentation

This is a python package designed for use in the marianski lab to easily create, and design figures for publications. The package can generate a variety of differnt plots for data analysis such as scatterplot, MD trajectories, free energy maps, histograms, etc. And can take data by importing log files from several different computational chemistry software such as Gaussian 16, Gromacs, ORCA and CP2K.

Contents:

• matmacore
  • matmacore package