Molpro - Molpro is a complete system of ab initio programs for molecular electronic structure calculations.

Gromacs - A popular molecular mechanics program.

Orca (Forum) - Widely used QM program suite especially suited for DFT calculations and the determination of spectroscopic parameters.

Chemshell - A program suite for the convenient combination of different QM and MM codes in QM/MM calculations.

Ahlrich's basis set library - Basis set library for the Ahlrich basis sets like def2-SVP.

Basis set exchange library - General basis set library.


CCB Wiki - the group internal Wiki.