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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 84 17

  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 440 90

  4. Molly.jl Molly.jl Public

    Molecular simulation in Julia

    Julia 400 54

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

    The website of the JuliaMolSim organisation

    JavaScript 5 4

Repositories

Showing 10 of 23 repositories
  • DFTK.jl Public

    Density-functional toolkit

    JuliaMolSim/DFTK.jl’s past year of commit activity
    Julia 440 MIT 90 79 (7 issues need help) 26 Updated Nov 5, 2024
  • Molly.jl Public

    Molecular simulation in Julia

    JuliaMolSim/Molly.jl’s past year of commit activity
    Julia 400 54 13 (1 issue needs help) 5 Updated Nov 4, 2024
  • PseudoLibraries.jl Public

    Programmatically access standard pseudopotentials from Julia

    JuliaMolSim/PseudoLibraries.jl’s past year of commit activity
    Julia 0 MIT 0 1 0 Updated Nov 3, 2024
  • AtomsBase.jl Public

    A Julian abstract interface for atomic structures.

    JuliaMolSim/AtomsBase.jl’s past year of commit activity
    Julia 84 MIT 17 31 7 Updated Nov 2, 2024
  • AtomsBuilder.jl Public

    Convenient building of atomic structures

    JuliaMolSim/AtomsBuilder.jl’s past year of commit activity
    Julia 6 MIT 1 2 0 Updated Oct 23, 2024
  • AtomsCalculatorsUtilities.jl Public

    Utilities for implementing AtomsCalculators

    JuliaMolSim/AtomsCalculatorsUtilities.jl’s past year of commit activity
    Julia 2 MIT 1 4 0 Updated Oct 22, 2024
  • JuliaMolSim.github.io Public

    The website of the JuliaMolSim organisation

    JuliaMolSim/JuliaMolSim.github.io’s past year of commit activity
    JavaScript 5 4 0 0 Updated Oct 21, 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
    Jupyter Notebook 8 0 3 0 Updated Oct 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 Sep 19, 2024
  • JuLIP.jl Public

    Julia Library for Interatomic Potentials

    JuliaMolSim/JuLIP.jl’s past year of commit activity
    Julia 84 23 24 0 Updated Sep 11, 2024
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