/tools/ComplexMixtures.jl

ComplexMixtures.jl

m3g/ComplexMixtures.jl

22 stars4 forksJuliaWebsiteAdded February 8, 2026
summary

ComplexMixtures.jl is a Julia package designed to study the interactions between solutes and solvents of complex molecular shapes. It utilizes minimum-distance distribution functions to analyze these interactions, providing insights into molecular behavior in solutions.

description

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

topics

amberchemistrydistribution-functiongromacslammpsmolecular-dynamicsmolecular-dynamics-simulationmolecular-modelingmolecular-simulationnamd

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