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Search results for julia molecular dynamics simulation

molecular-dynamics-simulation x

4 search results found

Nbodysimulator.jl ⭐ 122

A differentiable simulator for scientific machine learning (SciML) with N-body problems, including astrophysical and molecular dynamics

Celllistmap.jl ⭐ 76

Flexible implementation of cell lists to map the calculations of particle-pair dependent functions, such as forces, energies, neighbor lists, etc.

Complexmixtures.jl ⭐ 12

Package to perform minimum-distance distribution analyses of complex solute-solvent interactions

Celllists.jl ⭐ 10

Julia language implementation of the Cell Lists algorithm to solve the fixed-radius near neighbors problem including serial and multithreaded algorithms.

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