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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 81 16

  2. AtomsCalculators.jl AtomsCalculators.jl Public

    A Julian abstract interface for atomistic calculators.

    Julia 13 2

  3. DFTK.jl DFTK.jl Public

    Density-functional toolkit

    Julia 425 87

  4. Molly.jl Molly.jl Public

    Molecular simulation in Julia

    Julia 386 52

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

    The website of the JuliaMolSim organisation

    JavaScript 5 4

Repositories

Showing 10 of 22 repositories
  • AtomsBuilder.jl Public

    Convenient building of atomic structures

    JuliaMolSim/AtomsBuilder.jl’s past year of commit activity
    Julia 5 MIT 0 2 0 Updated Aug 28, 2024
  • Molly.jl Public

    Molecular simulation in Julia

    JuliaMolSim/Molly.jl’s past year of commit activity
    Julia 386 52 16 (1 issue needs help) 7 Updated Aug 28, 2024
  • DFTK.jl Public

    Density-functional toolkit

    JuliaMolSim/DFTK.jl’s past year of commit activity
    Julia 425 MIT 87 75 (7 issues need help) 28 Updated Aug 28, 2024
  • AtomsCalculatorsUtilities.jl Public

    Utilities for implementing AtomsCalculators

    JuliaMolSim/AtomsCalculatorsUtilities.jl’s past year of commit activity
    Julia 2 MIT 0 5 0 Updated Aug 28, 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 1 Updated Aug 27, 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 Aug 27, 2024
  • AtomsCalculators.jl Public

    A Julian abstract interface for atomistic calculators.

    JuliaMolSim/AtomsCalculators.jl’s past year of commit activity
    Julia 13 MIT 2 6 2 Updated Aug 27, 2024
  • AtomsBase.jl Public

    A Julian abstract interface for atomic structures.

    JuliaMolSim/AtomsBase.jl’s past year of commit activity
    Julia 81 MIT 16 30 3 Updated Aug 27, 2024
  • JuliaMolSim.github.io Public

    The website of the JuliaMolSim organisation

    JuliaMolSim/JuliaMolSim.github.io’s past year of commit activity
    JavaScript 5 4 1 0 Updated Aug 23, 2024
  • MolSSI_workshop Public

    Content for intro to Julia lesson at MolSSI workshop on Julia for computational materials and molecular science!

    JuliaMolSim/MolSSI_workshop’s past year of commit activity
    1 0 0 0 Updated Aug 15, 2024
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