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@ICAMS

ICAMS

Interdisciplinary Centre for Advanced Materials Simulation, Ruhr University Bochum

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  1. calphy Public

    A Python library and command line interface for automated free energy calculations

    Python 77 21

  2. lammps-user-pace Public

    C++ 29 12

  3. Kanapy Public

    Kanapy is a python package for generating three-dimensional synthetic polycrystals based on characteristic microstructural features.

    HTML 35 11

  4. pyLabFEA Public

    Forked from AHartmaier/pyLabFEA

    Python Laboratory for Finite Element Analysis

    Jupyter Notebook 3 2

  5. python-ace Public

    C++ 79 20

Repositories

Showing 10 of 15 repositories
  • grace-tensorpotential Public

    GRACE models and gracemaker (as implemented in TensorPotential package)

    Python 53 3 3 0 Updated Mar 12, 2025
  • Kanapy Public

    Kanapy is a python package for generating three-dimensional synthetic polycrystals based on characteristic microstructural features.

    HTML 35 AGPL-3.0 11 3 0 Updated Jan 30, 2025
  • lammps-user-pace Public
    C++ 29 12 2 2 Updated Jan 8, 2025
  • pyLabFEA Public Forked from AHartmaier/pyLabFEA

    Python Laboratory for Finite Element Analysis

    Jupyter Notebook 3 GPL-3.0 20 0 0 Updated Jan 3, 2025
  • calphy Public

    A Python library and command line interface for automated free energy calculations

    Python 77 21 13 0 Updated Dec 10, 2024
  • python-ace Public
    C++ 79 20 20 3 Updated Nov 20, 2024
  • grace-tutorial Public

    Tutorial materials for GRACE

    Jupyter Notebook 0 0 0 0 Updated Nov 18, 2024
  • TensorPotential Public

    TensorFlow based interface for ML potentials development, fitting and evaluation

    Python 10 5 0 1 Updated Sep 12, 2024
  • strucscan Public

    A lightweight python-based framework for high-throughput material simulation

    Python 6 GPL-3.0 3 0 0 Updated Nov 28, 2022
  • BOPcat Public

    A python package for parametrizing and testing bond-order potentials and tight-binding models

    Python 3 GPL-3.0 2 1 0 Updated Jul 11, 2022
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