Skip to content
@JuliaMolSim

Molecular Simulation in Julia

Pinned Loading

  1. AtomsBase.jl AtomsBase.jl Public

    A Julian abstract interface for atomic structures.

    Julia 93 21

  2. Atomistic.jl Atomistic.jl Public

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

    Julia

  3. DFTK.jl DFTK.jl Public

    Density-functional toolkit

    Julia 508 98

  4. Molly.jl Molly.jl Public

    Molecular simulation in Julia

    Julia 466 64

  5. AtomsCalculators.jl AtomsCalculators.jl Public

    A Julian abstract interface for atomistic calculators.

    Julia 16 2

  6. JuliaMolSim.github.io JuliaMolSim.github.io Public

    The website of the JuliaMolSim organisation

    JavaScript 6 5

Repositories

Showing 10 of 26 repositories
  • DFTK.jl Public

    Density-functional toolkit

    JuliaMolSim/DFTK.jl’s past year of commit activity
    Julia 508 MIT 98 98 (7 issues need help) 34 Updated Dec 23, 2025
  • EmpiricalPotentials.jl Public

    Empirical interatomic potentials with Julia, AtomsBase and AtomsCalculators

    JuliaMolSim/EmpiricalPotentials.jl’s past year of commit activity
    Julia 2 MIT 0 2 0 Updated Dec 23, 2025
  • AtomsBuilder.jl Public

    Convenient building of atomic structures

    JuliaMolSim/AtomsBuilder.jl’s past year of commit activity
    Julia 7 MIT 2 4 1 Updated Dec 23, 2025
  • Molly.jl Public

    Molecular simulation in Julia

    JuliaMolSim/Molly.jl’s past year of commit activity
    Julia 466 64 13 (1 issue needs help) 3 Updated Dec 22, 2025
  • NeighbourLists.jl Public

    neighbour list for particle simulations based on matscipy

    JuliaMolSim/NeighbourLists.jl’s past year of commit activity
    Julia 11 4 14 0 Updated Dec 15, 2025
  • JuliaMolSim.github.io Public

    The website of the JuliaMolSim organisation

    JuliaMolSim/JuliaMolSim.github.io’s past year of commit activity
    JavaScript 6 5 0 0 Updated Dec 1, 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 Nov 25, 2025
  • AtomsBase.jl Public

    A Julian abstract interface for atomic structures.

    JuliaMolSim/AtomsBase.jl’s past year of commit activity
    Julia 93 MIT 21 31 3 Updated Nov 24, 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 Nov 24, 2025
  • AtomsCalculatorsUtilities.jl Public

    Utilities for implementing AtomsCalculators

    JuliaMolSim/AtomsCalculatorsUtilities.jl’s past year of commit activity
    Julia 2 MIT 1 4 1 Updated Nov 24, 2025
View all repositories