The molecular properties and the parameters of molecular interactions can be calculated using quantum-chemical software (Gaussian, GAMESS, Jaguar, ADF) and directly imported into Khimera in an automatic mode.
Three features distinguish it from other quantum chemistry programs such as Gaussian and GAMESS: it is open source, has an object-oriented design, and is created from the beginning as a parallel processing program.
According to the recent post at the NVIDIA blog, TeraChem has been tested to deliver 8-50 times better performance than General Atomic and Molecular Structure System (GAMESS).
PC GAMESS/Firefly is an ab initio computational chemistry program for Intel-compatible x86, x86-64 processors based on GAMESS (US) sources.