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chemlab

The python chemistry package you were waiting for

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Version 0.3
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Molecular Viewer

Built-in molecular viewer to quickly visualize your systems.

chemlab molecular viewer is fully programmable and you can include it in your PySide applications.

Python Powered

Built on the flexible, fast and well-tested scientific python stack.


Extensible

Well documented and ready to get in. Write your own renderers and file handlers. Partecipate to the development!

Free

Free as in speech and as in beer. Do I need to say more?

Fast

chemlab is based on the gorgeous numpy library. This let you write fast code without leaving the python world.

Interoperable

Designed to be interoperable with other common chemistry packages. Check out the list of supported file formats.