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@JuliaMolSim

Molecular Simulation in Julia

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  1. AtomsBase.jl Public

    A Julian abstract interface for atomic structures.

    Julia 88 20

  2. AtomsCalculators.jl Public

    A Julian abstract interface for atomistic calculators.

    Julia 15 2

  3. DFTK.jl Public

    Density-functional toolkit

    Julia 466 92

  4. Molly.jl Public

    Molecular simulation in Julia

    Julia 426 57

  5. JuliaMolSim.github.io Public

    The website of the JuliaMolSim organisation

    JavaScript 5 4

Repositories

Showing 10 of 24 repositories
  • Molly.jl Public

    Molecular simulation in Julia

    Julia 426 57 8 (1 issue needs help) 3 Updated Mar 20, 2025
  • DFTK.jl Public

    Density-functional toolkit

    Julia 466 MIT 92 84 (7 issues need help) 25 Updated Mar 16, 2025
  • Atomistic.jl Public

    JuliaMolSim "umbrella" package that re-exports multiple core ecosystem packages.

    Julia 0 MIT 0 1 1 Updated Feb 18, 2025
  • AtomsBuilder.jl Public

    Convenient building of atomic structures

    Julia 6 MIT 2 3 0 Updated Jan 30, 2025
  • JuliaMolSim.github.io Public

    The website of the JuliaMolSim organisation

    JavaScript 5 4 0 0 Updated Jan 29, 2025
  • AtomsBase.jl Public

    A Julian abstract interface for atomic structures.

    Julia 88 MIT 20 30 3 Updated Jan 26, 2025
  • NeighbourLists.jl Public

    neighbour list for particle simulations based on matscipy

    Julia 11 3 13 0 Updated Jan 13, 2025
  • GeometryOptimization.jl Public

    Geometry optimization for molecular simulation

    Julia 7 MIT 0 3 3 Updated Jan 2, 2025
  • PseudoPotentialData.jl Public

    Use standard solid-state pseudopotentials in Julia

    Julia 1 MIT 0 0 0 Updated Dec 30, 2024
  • PseudoLibrary Public

    Repository to host tarballs of standard pseudopotential libraries

    Julia 5 4 1 0 Updated Dec 29, 2024
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