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The Top 8 Julia Molecular Dynamics Open Source Projects

Open source projects categorized as Julia Molecular Dynamics
Categories > Science > Molecular Dynamics
Molly.jl ⭐ 344
Molecular simulation in Julia
most recent commit 3 months ago
Nbodysimulator.jl ⭐ 122
A differentiable simulator for scientific machine learning (SciML) with N-body problems, including astrophysical and molecular dynamics
most recent commit 4 months ago
Celllistmap.jl ⭐ 76
Flexible implementation of cell lists to map the calculations of particle-pair dependent functions, such as forces, energies, neighbor lists, etc.
most recent commit 5 months ago
Nqcdynamics.jl ⭐ 48
Fast and flexible nonadiabatic molecular dynamics in Julia!
most recent commit 3 months ago
Mdtoolbox.jl ⭐ 19
MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules
most recent commit 5 months ago
Complexmixtures.jl ⭐ 12
Package to perform minimum-distance distribution analyses of complex solute-solvent interactions
most recent commit 5 months ago
Simplecrystals.jl ⭐ 11
An interface for generating simple crystal structures for molecular dynamics simulations.
most recent commit 6 months ago
Robertomd.jl ⭐ 10
Massively parallel hybrid particle-field molecular dynamics (hPF-MD) simulation method in Julia
most recent commit 2 years ago
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