Open Chemistry

Open source chemistry software libraries and tools

Technologies
python, javascript, opengl, c++, webgl
Topics
visualization, chemistry, graphics, materials science
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.

2016 Program

Successful Projects

Contributor
Patrick Avery
Mentor
Marcus D. Hanwell
Organization
Open Chemistry
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...
Contributor
Sanjeed Schamnad
Mentor
ATenderholt, Karol Langner
Organization
Open Chemistry
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...