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The Open Chemistry project is a collection of open source, cross platform libraries and applications for the exploration, analysis and generation of chemical data. The project builds upon various efforts by collaborators and innovators in open chemistry such as the Blue Obelisk, Quixote, Open Babel, CDK, RDKit, CML and the associated projects. Our goal is to improve the state of the art, and facilitate the open exchange of chemical data and ideas while utilizing the best technologies from quantum chemistry codes, molecular dynamics, informatics, and visualization.

Development

If you would like to get involved the Open Chemistry projects use Gerrit for code review, documentation for setting up the build and our development process is available. We have established a Coding Style page to help outline the expected code style for C++ contributions, and are adding more automated testing across all major platforms. These projects are at an early stage of development, and we would welcome feedback and involvement from community members. The projects are BSD licensed, and written in C++ using CMake as their build system.

Projects

For more information, please see additional details on each project along with links to further information.

• Avogadro: API documentation, libraries dashboard, application dashboard
• MongoChem: API documentation, dashboard
• MoleQueue: API documentation, dashboard