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@conda-forge @Materials-Consortia @AJMGroup @the-grey-group @Matgenix @marda-alliance @modl-uclouvain @Cambridge-Community-Kitchen @MADICES @Mrldatalab @bocarsly-group @Titirici-group-datalab @Cliffe-Group @datalab-org @datatractor @concat-lab @avnos-research

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Starred repositories

5 stars written in Julia
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ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems

Julia 65 15 Updated Dec 17, 2024

Chemellia / AtomicGraphNets.jl

Atomic graph models for molecules and crystals in Julia

Julia 62 10 Updated Nov 16, 2022

NQCD / NQCDynamics.jl

Fast and flexible nonadiabatic molecular dynamics in Julia!

Julia 57 6 Updated Dec 20, 2024

Chemellia / ChemistryFeaturization.jl

Interface package for featurizing atomic structures

Julia 42 14 Updated Nov 3, 2023

ACEsuit / IPFitting.jl

Fitting of NBodyIPs

Julia 5 10 Updated Oct 7, 2022

Starred topics