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nlesc-nano/auto-FOX Public
A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
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nlesc-nano/CAT Public
A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
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nlesc-nano/AssertionLib Public
A package for performing assertions and providing informative exception messages.
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nlesc-nano/Nano-Utils Public
Utility functions used throughout the various nlesc-nano repositories.
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nlesc-nano/data-CAT Public
A databasing framework for the Compound Attachment Tools package (CAT).
Python 1
1,023 contributions in the last year
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