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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 85 19

  2. AtomsCalculators.jl AtomsCalculators.jl Public

    A Julian abstract interface for atomistic calculators.

    Julia 14 2

  3. DFTK.jl DFTK.jl Public

    Density-functional toolkit

    Julia 448 89

  4. Molly.jl Molly.jl Public

    Molecular simulation in Julia

    Julia 415 55

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

    The website of the JuliaMolSim organisation

    JavaScript 5 4

Repositories

Showing 10 of 23 repositories
  • PseudoPotentialData.jl Public

    Access standard solid-state pseudopotentials from Julia

    JuliaMolSim/PseudoPotentialData.jl’s past year of commit activity
    Julia 0 MIT 0 0 1 Updated Dec 25, 2024
  • DFTK.jl Public

    Density-functional toolkit

    JuliaMolSim/DFTK.jl’s past year of commit activity
    Julia 448 MIT 89 79 (7 issues need help) 27 Updated Dec 25, 2024
  • AtomsBase.jl Public

    A Julian abstract interface for atomic structures.

    JuliaMolSim/AtomsBase.jl’s past year of commit activity
    Julia 85 MIT 19 30 4 Updated Dec 23, 2024
  • Molly.jl Public

    Molecular simulation in Julia

    JuliaMolSim/Molly.jl’s past year of commit activity
    Julia 415 55 13 (1 issue needs help) 5 Updated Dec 23, 2024
  • GeometryOptimization.jl Public

    Geometry optimization for molecular simulation

    JuliaMolSim/GeometryOptimization.jl’s past year of commit activity
    Julia 6 MIT 1 5 4 Updated Dec 20, 2024
  • EmpiricalPotentials.jl Public

    Empirical interatomic potentials with Julia, AtomsBase and AtomsCalculators

    JuliaMolSim/EmpiricalPotentials.jl’s past year of commit activity
    Julia 2 MIT 0 3 0 Updated Dec 20, 2024
  • AtomsCalculatorsUtilities.jl Public

    Utilities for implementing AtomsCalculators

    JuliaMolSim/AtomsCalculatorsUtilities.jl’s past year of commit activity
    Julia 2 MIT 1 4 1 Updated Dec 20, 2024
  • NeighbourLists.jl Public

    neighbour list for particle simulations based on matscipy

    JuliaMolSim/NeighbourLists.jl’s past year of commit activity
    Julia 11 3 13 0 Updated Dec 16, 2024
  • AtomsBuilder.jl Public

    Convenient building of atomic structures

    JuliaMolSim/AtomsBuilder.jl’s past year of commit activity
    Julia 6 MIT 2 3 0 Updated Dec 11, 2024
  • Libxc.jl Public

    Julia bindings to the libxc library for exchange-correlation functionals

    JuliaMolSim/Libxc.jl’s past year of commit activity
    Julia 22 MIT 5 2 0 Updated Nov 28, 2024
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