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#gromacs

Every repository in the public record carrying this tag — from its GitHub topics or the keywords its package registries publish. Health is measured under the same versioned methodology as the rest of the record.

3 records
Tagged “gromacs”Ranked by health index
PyPI
88Excellenthealth index
openforcefield/openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python★ 97Sep 16, 2026
MITSep 16, 2026 · metrics 2.10.0
PyPI
77Goodhealth index
Valdes-Tresanco-MS/gmx_MMPBSA
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
Python★ 325↓ 2,636/moSep 18, 2026
GPL-3.0Sep 18, 2026 · metrics 2.10.0
PyPI
60Moderatehealth index
Marcello-Sega/pytim
a python package for the interfacial analysis of molecular simulations
Python★ 98↓ 146/moOct 21, 2026
GPL-3.0Oct 21, 2026 · metrics 2.10.0