Molecular Simulation in Julia

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ASE.jl

Julia Bindings for Atomic Simulation Environment

Julia 7 5 3 1 Updated Dec 9, 2019
MolSimPy.jl

Python bindings for molecular simulations

Julia MIT 0 0 0 0 Updated Dec 9, 2019
DFTK.jl

Density-functional toolkit

toolkit julia density-functional-theory mathematical-analysis electronic-structure plane-wave kohn-sham

Julia MIT 2 11 16 4 Updated Dec 8, 2019
MolSim

Registry for Molecular Simulation Packages

MIT 0 0 0 0 Updated Dec 2, 2019
PoSH.jl

Approximation of Symmetric Functions with Polynomials and Spherical Harmonics

Julia MIT 0 0 0 0 Updated Dec 1, 2019
JuLIP.jl

Julia Library for Interatomic Potentials

Gnuplot 12 34 11 0 Updated Nov 28, 2019
NeighbourLists.jl

neighbour list for particle simulations based on matscipy

Julia 1 1 8 0 Updated Nov 28, 2019
MolSimReg.jl

Management of LibAtoms Julia registry

Julia MIT 0 0 0 0 Updated Nov 5, 2019

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