Main Page

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, 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.

Projects

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

• Avogadro:
  
  • API documentation
  • Libraries dashboard, application dashboard
  • Libraries issue tracker, application issue tracker
  • Ohloh statistics

• MoleQueue:
  
  • API documentation
  • dashboard
  • Issue tracker
  • Ohloh statistics

• MongoChem:
  
  • API documentation
  • dashboard
  • Issue tracker
  • Ohloh statistics

An bug tracker for the Open Chemistry projects is available here, along with aggregate statistics for the Open Chemistry project on Ohloh.