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@JuliaMolSim

Molecular Simulation in Julia

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  1. AtomsBase.jl AtomsBase.jl Public

    A Julian abstract interface for atomic structures.

    Julia 89 20

  2. AtomsCalculators.jl AtomsCalculators.jl Public

    A Julian abstract interface for atomistic calculators.

    Julia 16 2

  3. DFTK.jl DFTK.jl Public

    Density-functional toolkit

    Julia 482 94

  4. Molly.jl Molly.jl Public

    Molecular simulation in Julia

    Julia 439 58

  5. JuliaMolSim.github.io JuliaMolSim.github.io Public

    The website of the JuliaMolSim organisation

    JavaScript 6 4

Repositories

Showing 10 of 26 repositories
  • AtomsSystems.jl Public
    JuliaMolSim/AtomsSystems.jl’s past year of commit activity
    Julia 0 MIT 0 0 0 Updated Jul 16, 2025
  • Molly.jl Public

    Molecular simulation in Julia

    JuliaMolSim/Molly.jl’s past year of commit activity
    Julia 439 58 9 (1 issue needs help) 4 Updated Jul 14, 2025
  • DFTK.jl Public

    Density-functional toolkit

    JuliaMolSim/DFTK.jl’s past year of commit activity
    Julia 482 MIT 94 91 (7 issues need help) 26 Updated Jul 11, 2025
  • Libxc.jl Public

    Julia bindings to the libxc library for exchange-correlation functionals

    JuliaMolSim/Libxc.jl’s past year of commit activity
    Julia 23 MIT 8 2 0 Updated Jul 2, 2025
  • PseudoPotentialData.jl Public

    Use standard solid-state pseudopotentials in Julia

    JuliaMolSim/PseudoPotentialData.jl’s past year of commit activity
    Julia 1 MIT 0 0 0 Updated Jul 1, 2025
  • JuliaMolSim.github.io Public

    The website of the JuliaMolSim organisation

    JuliaMolSim/JuliaMolSim.github.io’s past year of commit activity
    JavaScript 6 4 0 0 Updated Jun 19, 2025
  • GeometryOptimization.jl Public

    Geometry optimization for molecular simulation

    JuliaMolSim/GeometryOptimization.jl’s past year of commit activity
    Julia 8 MIT 0 2 0 Updated Jun 15, 2025
  • IPICalculator.jl Public
    JuliaMolSim/IPICalculator.jl’s past year of commit activity
    Julia 1 MIT 0 2 0 Updated Jun 12, 2025
  • DftFunctionals.jl Public

    Interface and Julia implementation of exchange-correlation functionals

    JuliaMolSim/DftFunctionals.jl’s past year of commit activity
    Julia 8 MIT 8 1 1 Updated May 12, 2025
  • JuLIP.jl Public

    Julia Library for Interatomic Potentials

    JuliaMolSim/JuLIP.jl’s past year of commit activity
    Julia 86 24 24 0 Updated Apr 14, 2025
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