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    • Workflows for atomistic simulations of mechanical properties
      Forth
      0200Updated Apr 2, 2026Apr 2, 2026
    • Knowledge graph for atomistic simulation data
      Jupyter Notebook
      0000Updated Mar 31, 2026Mar 31, 2026
    • atomRDF

      Public
      atomRDF is a python tool for ontology-based creation, manipulation, and querying of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).
      Jupyter Notebook
      MIT License
      111170Updated Mar 31, 2026Mar 31, 2026
    • Data from semantic workflows (https://github.com/pyscal/semantic-workflows), and querying.
      Jupyter Notebook
      0000Updated Mar 31, 2026Mar 31, 2026
    • pyscal3

      Public
      More efficient and faster version of pyscal
      Jupyter Notebook
      BSD 3-Clause "New" or "Revised" License
      32992Updated Mar 2, 2026Mar 2, 2026
    • A python module for better color palettes
      Jupyter Notebook
      Other
      0242Updated Feb 28, 2026Feb 28, 2026
    • Jupyter Notebook
      MIT License
      0000Updated Mar 30, 2025Mar 30, 2025
    • Workflow extension for atomRDF to add the facility to add workflows
      MIT License
      0000Updated Mar 23, 2025Mar 23, 2025
    • Links for iuc17
      MIT License
      1000Updated Feb 18, 2025Feb 18, 2025
    • Jupyter Notebook
      0000Updated Feb 10, 2025Feb 10, 2025
    • Jupyter Notebook
      MIT License
      0000Updated Feb 10, 2025Feb 10, 2025
    • test_odk

      Public
      0000Updated Nov 1, 2024Nov 1, 2024
    • pyscal

      Public
      Python library written in C++ for calculation of local atomic structural environment
      C++
      BSD 3-Clause "New" or "Revised" License
      1669132Updated Sep 4, 2024Sep 4, 2024
    • .github

      Public
      0000Updated Jun 28, 2024Jun 28, 2024
    • test-env

      Public
      Jupyter Notebook
      MIT License
      0000Updated May 6, 2024May 6, 2024
    • A landing page for the pyscal org
      MIT License
      1000Updated Jan 16, 2024Jan 16, 2024
    • onto-network

      Public archive
      A utility package for programmatically working with ontologies
      Python
      MIT License
      0000Updated Jul 3, 2023Jul 3, 2023
    • GUI components for pyscal_rdf
      Jupyter Notebook
      MIT License
      0000Updated Jun 26, 2023Jun 26, 2023
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