Gromacs

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Overview

Molecular dynamics package mainly designed for simulations of proteins, lipids and nucleic acids

Community-curated · Updated weekly · 100% open source

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Created

An open library for the analysis of molecular dynamics trajectories

A Python Package for Protein Dynamics Analysis

Parsers and algorithms for computational chemistry logfiles

High performance toolkit for molecular simulation including extensive language bindings for Python, C, C++, and even Fortran