Skip to content
@nlesc-nano

Nanomaterial simulation packages

Nanomaterial simulation packages

Popular repositories Loading

  1. CAT CAT Public

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

    Python 19 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 11 8

  4. nano-CAT nano-CAT Public

    A collection of tools for the analysis of nanocrystals.

    Python 4 2

  5. ceiba ceiba Public

    Web service to manage scientific simulation data

    Python 4 1

  6. CP2K-Parser CP2K-Parser Public

    A package for converting CP2K input files into PLAMS-compatible dictionaries.

    Python 3 1

Repositories

Showing 10 of 25 repositories

Top languages

Loading…

Most used topics

Loading…