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Analyzed 8 days ago. based on code collected about 1 month 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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This Project has No vulnerabilities Reported Against it

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Python
50%
HTML
22%
JavaScript
24%
6 Other
4%

30 Day Summary

Sep 14 2018 — Oct 14 2018

12 Month Summary

Oct 14 2017 — Oct 14 2018
  • 417 Commits
    Up + 175 (72%) from previous 12 months
  • 16 Contributors
    Down -2 (11%) from previous 12 months