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cclib

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  Analyzed about 12 hours ago

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 ... [More] 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 [Less]

126K lines of code

14 current contributors

6 days since last commit

5 users on Open Hub

High Activity
5.0
 
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quantumVITAS

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  Analyzed 3 days ago

Quantum Visualization Interacting Toolkit for Ab-initio Simulations

24.4K lines of code

0 current contributors

over 3 years since last commit

0 users on Open Hub

Inactive
0.0
 
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