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Open Chemistry

Open Chemistry


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 and the associated projects. We aim to improve the state of the art, and facilitate the open exchange of ideas and exchange of chemical data leveraging the best technologies ranging from quantum chemistry codes, molecular dynamics, informatics and visualization.

This repository contains git submodules for the Open Chemistry projects: Avogadro, MoleQueue and MongoChem. It can be used to download all relevant source files as well as building many of the necessary dependencies. Please see the documentation in the submodules for more details about each project.

Kitware, Inc.


We provide nightly binaries built by our dashboards for Mac OS X and Windows. If you would like to build from source we recommend that you follow our building Open Chemistry guide that will take care of building most dependencies.


Our project uses the standard GitHub pull request process for code review and integration. Please check our development guide for more details on developing and contributing to the project. The GitHub issue tracker can be used to report bugs, make feature requests, etc.

Our wiki is used to document features, flesh out designs and host other documentation. Our API is [documented using Doxygen][Doxygen] with updated documentation generated nightly. We have several mailing lists to coordinate development and to provide support.