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Nanomaterial simulation packages

Nanomaterial simulation packages

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  1. CAT CAT Public

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

    Python 20 2

  2. swan swan Public

    Statistical models to predict new materials

    Python 14 1

  3. auto-FOX auto-FOX Public

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

    Python 12 8

  4. MLFF_QD MLFF_QD Public

    Machine Learning Force Fields for Quantum Dots

    Python 6 1

  5. nano-CAT nano-CAT Public

    A collection of tools for the analysis of nanocrystals.

    Python 5 2

  6. Quantum-Dots-Models-Library-for-DFT-Simulations Quantum-Dots-Models-Library-for-DFT-Simulations Public

    Python 5 1

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