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1

Avogadro

An intuitive molecular editor and visualization tool

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.

43 Reviews

Downloads: 6,270 This Week

Last Update: 2017-12-19
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2

orbkit (Moved to Github)

A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum

...If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/

Downloads: 0 This Week

Last Update: 2017-09-04
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3

PySpline

PySpline is a graphical, cross-platform program for processing X-ray absorption spectroscopy (XAS) and Extended X-ray absorption fine structure (EXAFS) data. It allows processing parameters to be adjusted and observe the effect on R-space data.

Downloads: 0 This Week

Last Update: 2013-05-02
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4

PyDespike

PyDespike is a cross platform (Windows, Mac, Linux) program written in Python using the PyQt and PyQwt libraries used to graphically process (despike) raman or other spectroscopic data in an efficient manner.

Downloads: 0 This Week

Last Update: 2013-03-20
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