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Analyzed 6 months ago. based on code collected 6 months ago.

Project Summary

cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages.

The goals of cclib are:

* to facilitate the implementation of algorithms that are not specific to a particular computational chemistry package
* to provide a simple and standard interface to the results of computational chemistry calculations, particularly those results that are useful for algorithms or visualisation
* to maximise interoperability with other open source computational chemistry and cheminformatic software libraries

Tags

cheminformatics chemistry computational_chemistry library molecular_science python quantumchemistry research

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In a Nutshell, cclib...

GNU General Public License v2.0 or later
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These details are provided for information only. No information here is legal advice and should not be used as such.

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This Project has No vulnerabilities Reported Against it

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Languages

Languages?height=75&width=75
Python
49%
JavaScript
26%
HTML
20%
5 Other
5%

30 Day Summary

Jul 25 2017 — Aug 24 2017

12 Month Summary

Aug 24 2016 — Aug 24 2017
  • 246 Commits
    Down -71 (22%) from previous 12 months
  • 19 Contributors
    Up + 6 (46%) from previous 12 months