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Molecular Simulation in Julia

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AtomsBase.jl AtomsBase.jl Public

A Julian abstract interface for atomic structures.

Julia 84 18
AtomsCalculators.jl AtomsCalculators.jl Public

A Julian abstract interface for atomistic calculators.

Julia 14 2
DFTK.jl DFTK.jl Public

Density-functional toolkit

Julia 444 89
Molly.jl Molly.jl Public

Molecular simulation in Julia

Julia 405 54
JuliaMolSim.github.io JuliaMolSim.github.io Public

The website of the JuliaMolSim organisation

JavaScript 5 4

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Showing 10 of 23 repositories

DFTK.jl Public
Density-functional toolkit

JuliaMolSim/DFTK.jl’s past year of commit activity

Julia 444 MIT 89 78 (7 issues need help) 28 Updated Nov 20, 2024
AtomsBase.jl Public
A Julian abstract interface for atomic structures.

JuliaMolSim/AtomsBase.jl’s past year of commit activity

Julia 84 MIT 18 31 6 Updated Nov 20, 2024
PseudoPotentialData.jl Public
Access standard solid-state pseudopotentials from Julia

JuliaMolSim/PseudoPotentialData.jl’s past year of commit activity

Julia 0 MIT 0 1 0 Updated Nov 19, 2024
Libxc.jl Public
Julia bindings to the libxc library for exchange-correlation functionals

JuliaMolSim/Libxc.jl’s past year of commit activity

Julia 22 MIT 5 1 1 Updated Nov 18, 2024
DftFunctionals.jl Public
Interface and Julia implementation of exchange-correlation functionals

JuliaMolSim/DftFunctionals.jl’s past year of commit activity

Julia 8 MIT 7 0 0 Updated Nov 18, 2024
Molly.jl Public
Molecular simulation in Julia

JuliaMolSim/Molly.jl’s past year of commit activity

Julia 405 54 13 (1 issue needs help) 4 Updated Nov 18, 2024
GeometryOptimization.jl Public
Geometry optimization for molecular simulation

JuliaMolSim/GeometryOptimization.jl’s past year of commit activity

Julia 6 MIT 1 5 1 Updated Nov 18, 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

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