Updated 9 months ago
openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Updated 9 months ago
moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Updated 9 months ago
https://github.com/m3g/complexmixtures.jl
Package to perform minimum-distance distribution analyses of complex solute-solvent interactions