MDAnalysis

Results 12 repositories owned by MDAnalysis

mdanalysis

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MDAnalysis is a Python library to analyze molecular dynamics simulations.

GridDataFormats

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GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.

MDAnalysisCookbook

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Examples and tutorials of using MDAnalysis

MDAPackmol

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MDAnalysis wrapper around Packmol

membrane-curvature

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MDAnalysis tool to calculate membrane curvature.

panedr

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Reads Gromacs EDR file to populate a pandas dataframe

pmda

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Parallel algorithms for MDAnalysis

solvation-analysis

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A comprehensive tool for analyzing liquid solvation structure.

UserGuide

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User Guide for MDAnalysis

WorkshopMDMLEdinburgh2022

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