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

CMake Superbuilds and Git Submodules

Introduction A long time ago, not long after I joined Kitware I was a little shocked that we were still using CVS and didn’t have a company blog, I was … Read More

Cumulus: Enabling Complex HPC Workflows

We define the high-performance computing/high-throughput computing (HPC/HTC) workflow as the flow of tasks that need to be executed to compute on HPC/HTC resources.¬†Cumulus, an open source platform, dynamically executes HPC/HTC … Read More