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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.


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


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

Binary installers and source distributions of the latest release are available here. We have switched to use GitHub's issues to track issues, bugs and feature enhancements. Aggregate statistics for the Open Chemistry project on Ohloh.