PyQuante

Free package for quantum chemistry programming

Version: 1.6.3
License: Free
Operating System: Mac OS X
Homepage: sourceforge.net
Developed by: Richard P. Muller

PyQuante is a free and open source suite of programs that will help you develop quantum chemistry methods. PyQuante is written in the Python programming language, but has many "rate-determining" modules also written in C for speed.

The resulting code, though not as fast as Jaguar, NWChem, Gaussian, or GAMESS, is much easier to understand and modify. The goal of this software is not necessarily to provide a working quantum chemistry program (although it will hopefully do that), but rather to provide a well-engineered set of tools so that scientists can construct their own quantum chemistry programs without going through the tedium of having to write every low-level routine.

NOTE: PyQuante is licensed and distributed under the terms of the BSD License.