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.