/tools/gromacs

gromacs

gromacs/gromacs

867 stars377 forksC++WebsiteAdded February 4, 2026
summary

GROMACS is a powerful molecular simulation toolkit that allows users to perform molecular dynamics simulations efficiently. It is widely used in the field of computational chemistry for studying the behavior of biomolecules and materials at the atomic level.

description

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

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