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Analyzed about 19 hours ago. based on code collected 1 day 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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These details are provided for information only. No information here is legal advice and should not be used as such.

Project Security

Vulnerabilities per Version ( last 10 releases )

There are no reported vulnerabilities

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30 Day Summary

May 20 2021 — Jun 19 2021

12 Month Summary

Jun 19 2020 — Jun 19 2021
  • 569 Commits
    Up + 200 (54%) from previous 12 months
  • 23 Contributors
    Down -1 (4%) from previous 12 months

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