Open source chemistry software libraries and tools

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 organization is an umbrella of projects developed by long-time collaborators and innovators in open chemistry such as the Avogadro, Open Babel, 3DMol.js, and cclib projects. These four projects alone have been downloaded over 500,000 times and cited in over 1,000 academic papers. 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, analytics, and visualization.

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  • c++
  • opengl
  • python
  • javascript
  • webgl


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