Molecular Simulation in Julia

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1. AtomsBase.jl AtomsBase.jl Public

   A Julian abstract interface for atomic structures.

   Julia 100 22

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 542 111

4. Molly.jl Molly.jl Public

   Molecular simulation in Julia

   Julia 498 74

5. AtomsCalculators.jl AtomsCalculators.jl Public

   A Julian abstract interface for atomistic calculators.

   Julia 17 2

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

   The website of the JuliaMolSim organisation

   JavaScript 6 5