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@pyscal

pyscal

README.md

Welcome to pyscal organisation page! Check out our repos:

  • pyscal : A Python-C++ hybrid module for local structure evolution including Steinhardts parameters.
  • pyscal3 : A modern, fast, and efficient version of pyscal, currently in development.
  • atomRDF: Python tool for ontology-based creation, manipulation, and quering of structures using the Computational Material Sample Ontology.

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  1. pyscal pyscal Public

    Python library written in C++ for calculation of local atomic structural environment

    C++ 57 16

  2. pyscal3 pyscal3 Public

    More efficient and faster version of pyscal

    Jupyter Notebook 18 1

  3. atomRDF atomRDF Public

    atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

    Jupyter Notebook 10 2

Repositories

Showing 10 of 13 repositories
  • test_odk Public
    pyscal/test_odk’s past year of commit activity
    0 0 0 0 Updated Nov 1, 2024
  • atomRDF Public

    atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

    pyscal/atomRDF’s past year of commit activity
    Jupyter Notebook 10 MIT 2 13 0 Updated Oct 24, 2024
  • GB_dataset Public
    pyscal/GB_dataset’s past year of commit activity
    0 MIT 0 0 0 Updated Sep 21, 2024
  • pyscal Public

    Python library written in C++ for calculation of local atomic structural environment

    pyscal/pyscal’s past year of commit activity
    C++ 57 BSD-3-Clause 16 13 (1 issue needs help) 2 Updated Sep 4, 2024
  • pyscal3 Public

    More efficient and faster version of pyscal

    pyscal/pyscal3’s past year of commit activity
    Jupyter Notebook 18 BSD-3-Clause 1 4 0 Updated Sep 4, 2024
  • .github Public
    pyscal/.github’s past year of commit activity
    0 0 0 0 Updated Jun 28, 2024
  • iuc17_demonstrator Public
    pyscal/iuc17_demonstrator’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Jun 12, 2024
  • test-env Public
    pyscal/test-env’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated May 6, 2024
  • iuc17_links Public Forked from pyscal/landing_page

    Links for iuc17

    pyscal/iuc17_links’s past year of commit activity
    0 MIT 1 0 0 Updated Mar 10, 2024
  • landing_page Public

    A landing page for the pyscal org

    pyscal/landing_page’s past year of commit activity
    0 MIT 1 0 0 Updated Jan 16, 2024
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