Sire: An advanced, multiscale, molecular simulation framework

Sire is written to allow computational modelers to quickly prototype and develop new algorithms for molecular simulation and molecular design.

Sire is written as a collection of libraries, each of which contains self-contained and robust C++/Python building blocks. These building blocks are vectorised and thread-aware and can be streamed (saved/loaded) to and from a version-controlled and tagged binary format, thereby allowing them to be combined together easily to build custom multi-processor molecular simulation applications.