MULTIXMAS
Multiscale simulations of excitation dynamics in molecular materials for sustainable energy applications
VOTCA-XTP is a library which allows you to calculate the electronic properties of organic materials
VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge (and exciton) transport in disordered semiconductors.VOTCA contains the packages CSG, which provides coarse graining routines and XTP, which allows to extract electronic properties from MD calculations