The primary use of LoBoS is to allow computational chemistry applications to be run in a massively parallel environment. The most common applications to date have been quantum and classical simulations of biological systems, neural network analysis of experimental neuron signal data and parallelization methods development.
| CHARMM | Molecular Modeling | documentation CHARMM Home Page |
| AMBER | Molecular Modeling | documentation AMBER Home Page |
| GAMESS-UK | Ab initio | documentation (at Daresbury Labs) GAMESS-UK Home Page |
| GAMESS (US) | Ab initio | documentation GAMESS (US) Home Page |
| MPI | Message Passing Interface Standard |
MPICH Home Page MP_Lite Home Page |
| VIA | Virtual Interface Architecture Standard |
M-VIA Implementation Intel - VI Architecture |
| PGI |
documentation Portland Group, Inc. Home page |
| MySQL | MySQL Home Page |
| Linux |
Freely available and robust implementation of UNIX RedHat distribution Debian distribution |