The Open Chemistry project offers a suite of permissively licensed cross-platform tools that provide reusable libraries and end-user applications for computational chemistry, materials science, and related areas.

Kitware offers services to help you best leverage the Open Chemistry suite. Discover how we can work together to advance your research.

Avogadro 2Avogadro 2 is a versatile desktop application for editing and visualizing molecular data. It is cross-platform, and can be extended with C++ plugins, or Python scripts. Support for a number of computational chemistry codes is offered, and integration with online databases.

MoleQueueMoleQueue provides desktop integration of high-performance computing (HPC) resources, along with local execution of standalone code. It is a small, Qt-based, system-tray resident application that makes computing resources easier to access from graphical applications.

Tomviz Tomviz offers a desktop application for the processing, visualization, and analysis of 3D tomographic data. The full pipeline of data processing steps from alignment and reconstruction right through to analysis and segmentation of the 3D data can be presented, saved, and restored.

Recent Posts

Tomviz 1.5.1 Released

We are pleased to announce the release of Tomviz 1.5.1 (GitHub release page). This release contains a number of bug fixes and stability enhancements found … Read More

Avogadro and Quantum Chemistry Viz in JupyterLab

We have a new Open Chemistry DOE SBIR Phase II project developing integration of chemical and materials data within Jupyter coupled with a data server/job execution … Read More