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libAtoms

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  1. QUIP QUIP Public

    libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io

    Fortran 406 131

  2. matscipy matscipy Public

    Materials science with Python at the atomic-scale

    Python 251 70

Repositories

Showing 10 of 31 repositories
  • pymatnext Public

    Python Nested Sampling for Materials, the Next Generation

    libAtoms/pymatnext's past year of commit activity
    Python 8 6 4 0 Updated Nov 10, 2026
  • silicon-testing-framework Public

    Testing framework for silicon interatomic potentials

    libAtoms/silicon-testing-framework's past year of commit activity
    Python 10 7 2 0 Updated Nov 2, 2026
  • matscipy Public

    Materials science with Python at the atomic-scale

    libAtoms/matscipy's past year of commit activity
    Python 251 LGPL-2.1 70 20 6 Updated Oct 27, 2026
  • matscipy-neighbours Public

    Fast neighbour list for particle simulations on CPUs and GPUs

    libAtoms/matscipy-neighbours's past year of commit activity
    C++ 10 MIT 4 0 4 Updated Oct 27, 2026
  • pymatnest Public

    Nested Sampling code

    libAtoms/pymatnest's past year of commit activity
    Jupyter Notebook 37 GPL-3.0 25 3 4 Updated Oct 23, 2026
  • extxyz Public

    Extended XYZ specification and parsers

    libAtoms/extxyz's past year of commit activity
    Python 27 MIT 8 2 0 Updated Oct 2, 2026
  • workflow Public

    python workflow toolkit

    libAtoms/workflow's past year of commit activity
    Python 42 GPL-2.0 21 67 6 Updated Aug 22, 2026
  • QUIP Public

    libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io

    libAtoms/QUIP's past year of commit activity
    Fortran 406 131 116 3 Updated Aug 22, 2026
  • dap Public

    Display Atoms with Python

    libAtoms/dap's past year of commit activity
    Python 2 2 0 0 Updated Jul 15, 2026
  • GAP Public
    libAtoms/GAP's past year of commit activity
    Fortran 49 21 0 2 Updated Jul 5, 2026
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