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mdanalysis

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A Python package for the handling and analysis of molecular simulations data.

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::mdanalysis

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Usage Tracking

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Description

MDAnalysis is a Python library to analyze trajectories from molecular dynamics (MD) simulations. It can read and write most popular formats, and provides a flexible and fast framework for writing custom analysis through making the underlying data easily available as NumPy arrays.

About

Summary

A Python package for the handling and analysis of molecular simulations data.

Last Updated

Oct 22, 2026 at 09:54

License

LGPL-3.0-or-later

Supported Platforms

macOS-arm64
linux-ppc64le
macOS-64
win-64
linux-aarch64
linux-64