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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Open Chemistry 2016 Projects

  • Sanjeed Schamnad
    Avogadro-2: Integration of cclib data parser using Chemical JSON
    This project proposes to integrate the cclib data parsing library with Avogadro-2 using the Chemical JSON format. Chemical JSON is a standard JSON...
  • Patrick Avery
    Materials Science Advances in Avogadro 2
    As a Ph. D. student in a computational chemistry research group involving crystallography, I’m very familiar with many of the features and functions...