PyRETIS is still in development. Please visit our git repository at for information about the development process. Below is a list of work that remains to do (or could be considered):

  • Finish input file format.
  • Implementation of new rare event methods. Improved shooting etc.
  • Interface MD packages like LAMMPS, NAMD, etc.
  • Include option for storing/loading binary files.
  • The reports could be nicer.