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nlesc-nano/auto-FOX
nlesc-nano/auto-FOX PublicA library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
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nlesc-nano/CAT
nlesc-nano/CAT PublicA collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
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nlesc-nano/nano-CAT
nlesc-nano/nano-CAT PublicA collection of tools for the analysis of nanocrystals.
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nlesc-nano/AssertionLib
nlesc-nano/AssertionLib PublicA package for performing assertions and providing informative exception messages.
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nlesc-nano/Nano-Utils
nlesc-nano/Nano-Utils PublicUtility functions used throughout the various nlesc-nano repositories.
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nlesc-nano/data-CAT
nlesc-nano/data-CAT PublicA databasing framework for the Compound Attachment Tools package (CAT).
Python 1
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