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
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In a Nutshell, cclib...
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has a well established, mature codebase
maintained by a large development team
with decreasing Y-O-Y commits -
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took an estimated 35 years of effort (COCOMO model)
starting with its first commit in March, 2006
ending with its most recent commit 11 days ago
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.
Project Security
Vulnerabilities per Version ( last 10 releases )
There are no reported vulnerabilities
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30 Day SummaryAug 6 2026 — Sep 5 2026
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12 Month SummarySep 5 2025 — Sep 5 2026
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