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libAtoms

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  1. QUIP QUIP Public

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

    Fortran 403 131

  2. matscipy matscipy Public

    Materials science with Python at the atomic-scale

    Python 246 70

Repositories

Showing 10 of 31 repositories
  • matscipy-neighbours Public

    Fast neighbour list for particle simulations on CPUs and GPUs

    libAtoms/matscipy-neighbours's past year of commit activity
    C++ 9 MIT 3 0 1 Updated Sep 28, 2026
  • matscipy Public

    Materials science with Python at the atomic-scale

    libAtoms/matscipy's past year of commit activity
    Python 246 LGPL-2.1 70 19 5 Updated Sep 25, 2026
  • pymatnext Public

    Python Nested Sampling for Materials, the Next Generation

    libAtoms/pymatnext's past year of commit activity
    Python 8 6 4 0 Updated Sep 17, 2026
  • pymatnest Public

    Nested Sampling code

    libAtoms/pymatnest's past year of commit activity
    Jupyter Notebook 37 GPL-3.0 25 3 4 Updated Sep 1, 2026
  • workflow Public

    python workflow toolkit

    libAtoms/workflow's past year of commit activity
    Python 43 GPL-2.0 21 67 5 Updated Aug 22, 2026
  • QUIP Public

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

    libAtoms/QUIP's past year of commit activity
    Fortran 403 131 116 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
  • extxyz Public

    Extended XYZ specification and parsers

    libAtoms/extxyz's past year of commit activity
    Python 27 MIT 7 2 0 Updated Jul 15, 2026
  • GAP Public
    libAtoms/GAP's past year of commit activity
    Fortran 49 21 0 2 Updated Jul 5, 2026
  • ExtXYZ.jl Public

    Extended XYZ read/write support for Julia

    libAtoms/ExtXYZ.jl's past year of commit activity
    Julia 18 MIT 6 3 0 Updated Jun 17, 2026
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