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A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
Python 4 8
A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
Python 10 2
A collection of tools for the analysis of nanocrystals.
Python 1 2
A package for performing assertions and providing informative exception messages.
Python 1 1
Utility functions used throughout the various nlesc-nano repositories.
A databasing framework for the Compound Attachment Tools package (CAT).
Python 1
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