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 2 days ago
GNU General Public License v2.0 or later
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Commercial Use
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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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Vulnerability Exposure Index
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30 Day SummaryOct 31 2025 — Nov 30 2025
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12 Month SummaryNov 30 2024 — Nov 30 2025
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