Molecular Simulation in Julia

Pinned Repositories

ASE.jl
Julia Bindings for Atomic Simulation Environment
Language:Julia37 3 1412
AtomsBase.jl
A Julian abstract interface for atomic structures.
Language:Julia88 12 6320
AtomsCalculators.jl
A Julian abstract interface for atomistic calculators.
Language:Julia15 7 142
DFTK.jl
Density-functional toolkit
Language:Julia466 16 28192
JuliaMolSim.github.io
The website of the JuliaMolSim organisation
Language:JavaScript5 6 24
JuLIP.jl
Julia Library for Interatomic Potentials
Language:Julia85 10 12123
Libxc.jl
Julia bindings to the libxc library for exchange-correlation functionals
Language:Julia22 4 76
Molly.jl
Molecular simulation in Julia
Language:Julia426 19 6357
MolSim
Registry for Molecular Simulation Packages
11 4 42
NeighbourLists.jl
neighbour list for particle simulations based on matscipy
Language:Julia11 2 233

Molecular Simulation in Julia's Repositories

JuliaMolSim/DFTK.jl
Density-functional toolkit
Language:Julia466 16 28192
JuliaMolSim/Molly.jl
Molecular simulation in Julia
Language:Julia426 19 6357
JuliaMolSim/AtomsBase.jl
A Julian abstract interface for atomic structures.
Language:Julia88 12 6320
JuliaMolSim/JuLIP.jl
Julia Library for Interatomic Potentials
Language:Julia85 10 12123
JuliaMolSim/ASE.jl
Julia Bindings for Atomic Simulation Environment
Language:Julia37 3 1412
JuliaMolSim/Libxc.jl
Julia bindings to the libxc library for exchange-correlation functionals
Language:Julia22 4 76
JuliaMolSim/AtomsCalculators.jl
A Julian abstract interface for atomistic calculators.
Language:Julia15 7 142
JuliaMolSim/MolSim
Registry for Molecular Simulation Packages
11 4 42
JuliaMolSim/NeighbourLists.jl
neighbour list for particle simulations based on matscipy
Language:Julia11 2 233
JuliaMolSim/MolSSI_workshop
Content for intro to Julia lesson at MolSSI workshop on Julia for computational materials and molecular science!
Language:Jupyter Notebook9 5 4
JuliaMolSim/DftFunctionals.jl
Interface and Julia implementation of exchange-correlation functionals
Language:Julia8 4 48
JuliaMolSim/Juliacon2021
Birds of Feather discussion at the Juliacon2021
8 9 01
JuliaMolSim/GeometryOptimization.jl
Geometry optimization for molecular simulation
Language:Julia7 6 111
JuliaMolSim/AtomsBuilder.jl
Convenient building of atomic structures
Language:Julia6 4 62
JuliaMolSim/JuliaMolSim.github.io
The website of the JuliaMolSim organisation
Language:JavaScript5 6 24
JuliaMolSim/PseudoLibrary
Repository to host tarballs of standard pseudopotential libraries
Language:Julia5 5 64
JuliaMolSim/ElectronicStructure.jl
Trial setup for electronic structure
Language:Julia3 6 22
JuliaMolSim/JuliaMolSim_logo
playing around with a logo for the org!
Language:Julia3 6 03
JuliaMolSim/MolSimPy.jl
Python bindings for molecular simulations
Language:Julia3 2 11
JuliaMolSim/AtomsCalculatorsUtilities.jl
Utilities for implementing AtomsCalculators
Language:Julia2 2 111
JuliaMolSim/EmpiricalPotentials.jl
Empirical interatomic potentials with Julia, AtomsBase and AtomsCalculators
Language:Julia2 6 18
JuliaMolSim/MolSimReg.jl
Management of LibAtoms Julia registry
Language:Julia2 3 11
JuliaMolSim/PseudoPotentialData.jl
Use standard solid-state pseudopotentials in Julia
Language:Julia1 3 2
JuliaMolSim/Atomistic.jl
JuliaMolSim "umbrella" package that re-exports multiple core ecosystem packages.
Language:Julia