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1. nlesc-nano/auto-FOX nlesc-nano/auto-FOX Public

   A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.

   Python 12 8

2. nlesc-nano/CAT nlesc-nano/CAT Public

   A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.

   Python 20 3

3. nlesc-nano/nano-CAT nlesc-nano/nano-CAT Public

   A collection of tools for the analysis of nanocrystals.

   Python 5 2

4. nlesc-nano/AssertionLib nlesc-nano/AssertionLib Public

   A package for performing assertions and providing informative exception messages.

   Python 1 1

5. nlesc-nano/Nano-Utils nlesc-nano/Nano-Utils Public

   Utility functions used throughout the various nlesc-nano repositories.

   Python 1 1

6. nlesc-nano/data-CAT nlesc-nano/data-CAT Public

   A databasing framework for the Compound Attachment Tools package (CAT).

   Python 1