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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 9 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 16 2

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

    A collection of tools for the analysis of nanocrystals.

    Python 3 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