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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These details are provided for information only. No information here is legal advice and should not be used as such.
There are no reported vulnerabilities
30 Day SummaryJan 1 2025 — Jan 31 2025
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12 Month SummaryJan 31 2024 — Jan 31 2025
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