Repositories list

• membrane-curvature

  Public
  MDAnalysis tool to calculate membrane curvature.

  pythonmolecular-dynamics-simulationtrajectory-analysis+ 1

  pythonmolecular-dynamics-simulationtrajectory-analysismdanalysis

  Python

  •

  GNU General Public License v3.0

  •1111 forks in MDAnalysis/membrane-curvature•3737 stars in MDAnalysis/membrane-curvature•66 issues in MDAnalysis/membrane-curvature•88 pull requests in MDAnalysis/membrane-curvature•Updated Nov 1, 2026Nov 1, 2026

• mdadash

  Public
  Dashboard for monitoring running MD simulations using streaming (GSoC 2026).

  streamingmonitoringfrontend+ 3

  streamingmonitoringfrontendbackendmolecular-dynamics-simulationmdanalysis

  Python

  •

  MIT License

  •22 forks in MDAnalysis/mdadash•99 stars in MDAnalysis/mdadash•11 issue in MDAnalysis/mdadash•00 pull requests in MDAnalysis/mdadash•Updated Nov 1, 2026Nov 1, 2026

• MDAKits

  Public
  The MDAnalysis Toolkits Registry

  Python

  •

  Other

  •3838 forks in MDAnalysis/MDAKits•1919 stars in MDAnalysis/MDAKits•5050 issues in MDAnalysis/MDAKits•77 pull requests in MDAnalysis/MDAKits•Updated Nov 1, 2026Nov 1, 2026

• mdakit-cookie

  Public
  00 forks in MDAnalysis/mdakit-cookie•00 stars in MDAnalysis/mdakit-cookie•00 issues in MDAnalysis/mdakit-cookie•00 pull requests in MDAnalysis/mdakit-cookie•Updated Nov 1, 2026Nov 1, 2026

• MDAnalysis.github.io

  Public
  MDAnalysis home page mdanalysis.org as GitHub pages.

  CSS

  •5151 forks in MDAnalysis/MDAnalysis.github.io•1414 stars in MDAnalysis/MDAnalysis.github.io•2424 issues in MDAnalysis/MDAnalysis.github.io•00 pull requests in MDAnalysis/MDAnalysis.github.io•Updated Oct 29, 2026Oct 29, 2026

• GridDataFormats

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

  python

  python

  Python

  •

  GNU Lesser General Public License v3.0

  •2323 forks in MDAnalysis/GridDataFormats•3232 stars in MDAnalysis/GridDataFormats•66 issues in MDAnalysis/GridDataFormats•11 pull request in MDAnalysis/GridDataFormats•Updated Oct 28, 2026Oct 28, 2026

• mdanalysis

  Public
  MDAnalysis is a Python library to analyze molecular dynamics simulations.

  pythonsciencemolecular-dynamics+ 5

  pythonsciencemolecular-dynamicscomputational-chemistrymolecular-simulationmolecular-dynamics-simulationtrajectory-analysismdanalysis

  Python

  •

  Other

  •876876 forks in MDAnalysis/mdanalysis•1.7k1.7k stars in MDAnalysis/mdanalysis•453453 issues in MDAnalysis/mdanalysis•102102 pull requests in MDAnalysis/mdanalysis•Updated Oct 26, 2026Oct 26, 2026

• install-mdanalysis

  Public
  Action to install MDAnalysis

  MIT License

  •11 fork in MDAnalysis/install-mdanalysis•00 stars in MDAnalysis/install-mdanalysis•44 issues in MDAnalysis/install-mdanalysis•22 pull requests in MDAnalysis/install-mdanalysis•Updated Oct 25, 2026Oct 25, 2026

• benchmarks

  Public
  Performance benchmarks of MDAnalysis provided by ASV.

  mdanalysis

  mdanalysis

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •44 forks in MDAnalysis/benchmarks•33 stars in MDAnalysis/benchmarks•11 issue in MDAnalysis/benchmarks•00 pull requests in MDAnalysis/benchmarks•Updated Oct 24, 2026Oct 24, 2026

• mda-xdrlib

  Public
  Stand-alone XDRLIB module (from cpython 3.10.8)

  Python

  •

  Other

  •11 fork in MDAnalysis/mda-xdrlib•11 star in MDAnalysis/mda-xdrlib•11 issue in MDAnalysis/mda-xdrlib•11 pull request in MDAnalysis/mda-xdrlib•Updated Oct 22, 2026Oct 22, 2026

• mdanalysis-sphinx-theme

  Public
  The official MDAnalysis Sphinx documentation theme.

  Sass

  •

  Other

  •11 fork in MDAnalysis/mdanalysis-sphinx-theme•11 star in MDAnalysis/mdanalysis-sphinx-theme•44 issues in MDAnalysis/mdanalysis-sphinx-theme•22 pull requests in MDAnalysis/mdanalysis-sphinx-theme•Updated Oct 13, 2026Oct 13, 2026

• UserGuide

  Public
  User Guide for MDAnalysis

  Python

  •

  GNU Lesser General Public License v2.1

  •5252 forks in MDAnalysis/UserGuide•3434 stars in MDAnalysis/UserGuide•6464 issues in MDAnalysis/UserGuide•44 pull requests in MDAnalysis/UserGuide•Updated Oct 9, 2026Oct 9, 2026

• branding

  Public
  Resources for MDAnalysis branding

  22 forks in MDAnalysis/branding•00 stars in MDAnalysis/branding•00 issues in MDAnalysis/branding•00 pull requests in MDAnalysis/branding•Updated Aug 31, 2026Aug 31, 2026

• helanal

  Public
  A package to characterise the geometry of protein helicies.

  Python

  •33 forks in MDAnalysis/helanal•11 star in MDAnalysis/helanal•00 issues in MDAnalysis/helanal•11 pull request in MDAnalysis/helanal•Updated Aug 27, 2026Aug 27, 2026

• cookiecutter-mdakit

  Public
  Cookiecutter for Python packages based on MDAnalysis

  Python

  •

  MIT License

  •88 forks in MDAnalysis/cookiecutter-mdakit•88 stars in MDAnalysis/cookiecutter-mdakit•2727 issues in MDAnalysis/cookiecutter-mdakit•11 pull request in MDAnalysis/cookiecutter-mdakit•Updated Aug 23, 2026Aug 23, 2026

• mdacli

  Public
  Command line interface for MDAnalysis

  pythoncliscience+ 7

  pythonclisciencecommand-linemolecular-dynamicscomputational-chemistrymolecular-dynamics-simulationcommand-line-tooltrajectory-analysismdanalysis

  Python

  •

  GNU General Public License v3.0

  •1010 forks in MDAnalysis/mdacli•2323 stars in MDAnalysis/mdacli•99 issues in MDAnalysis/mdacli•00 pull requests in MDAnalysis/mdacli•Updated Aug 4, 2026Aug 4, 2026

• PathSimAnalysis

  Public
  An MDAKit that calculates the geometric similarity of molecular dynamics trajectories using path metrics such as the Hausdorff or Fréchet distances.

  Python

  •

  GNU Lesser General Public License v2.1

  •22 forks in MDAnalysis/PathSimAnalysis•00 stars in MDAnalysis/PathSimAnalysis•33 issues in MDAnalysis/PathSimAnalysis•00 pull requests in MDAnalysis/PathSimAnalysis•Updated Jul 30, 2026Jul 30, 2026

• mdaencore

  Public
  Ensemble overlap comparison software for molecular data.

  Python

  •

  GNU General Public License v2.0

  •22 forks in MDAnalysis/mdaencore•00 stars in MDAnalysis/mdaencore•1919 issues in MDAnalysis/mdaencore•11 pull request in MDAnalysis/mdaencore•Updated Jul 26, 2026Jul 26, 2026

• mdgeomkit

  Public
  Simple cookie-cutter based MDAKit (for Workshop teaching)

  Python

  •

  GNU General Public License v2.0

  •33 forks in MDAnalysis/mdgeomkit•11 star in MDAnalysis/mdgeomkit•11 issue in MDAnalysis/mdgeomkit•00 pull requests in MDAnalysis/mdgeomkit•Updated Jun 22, 2026Jun 22, 2026

• mdanalysis-compatible-python

  Public
  Python

  •

  MIT License

  •00 forks in MDAnalysis/mdanalysis-compatible-python•11 star in MDAnalysis/mdanalysis-compatible-python•00 issues in MDAnalysis/mdanalysis-compatible-python•00 pull requests in MDAnalysis/mdanalysis-compatible-python•Updated May 31, 2026May 31, 2026

• distopia

  Public
  SIMD instructions for faster distance calculations.

  C++

  •

  MIT License

  •88 forks in MDAnalysis/distopia•2525 stars in MDAnalysis/distopia•1313 issues in MDAnalysis/distopia•33 pull requests in MDAnalysis/distopia•Updated Apr 7, 2026Apr 7, 2026

• MDAnalysisData

  Public
  Access to data for workshops and extended tests of MDAnalysis.

  pythonmolecular-dynamicsdataset-manager+ 1

  pythonmolecular-dynamicsdataset-managermdanalysis

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •55 forks in MDAnalysis/MDAnalysisData•1919 stars in MDAnalysis/MDAnalysisData•55 issues in MDAnalysis/MDAnalysisData•22 pull requests in MDAnalysis/MDAnalysisData•Updated Apr 3, 2026Apr 3, 2026

• mdanalysis-subprojects-branding

  Public
  Logos and branding for MDAnalysis subprojects

  mdanalysis

  mdanalysis

  Python

  •11 fork in MDAnalysis/mdanalysis-subprojects-branding•00 stars in MDAnalysis/mdanalysis-subprojects-branding•00 issues in MDAnalysis/mdanalysis-subprojects-branding•11 pull request in MDAnalysis/mdanalysis-subprojects-branding•Updated Mar 12, 2026Mar 12, 2026

• griddataformats-feedstock

  Public
  A conda-smithy repository for griddataformats.

  BSD 3-Clause "New" or "Revised" License

  •99 forks in MDAnalysis/griddataformats-feedstock•00 stars in MDAnalysis/griddataformats-feedstock•00 issues in MDAnalysis/griddataformats-feedstock•00 pull requests in MDAnalysis/griddataformats-feedstock•Updated Jan 23, 2026Jan 23, 2026

• parallelization-benchmarks

  Public
  Repository for coordination of parallelization paper writing

  TeX

  •

  GNU Lesser General Public License v2.1

  •00 forks in MDAnalysis/parallelization-benchmarks•00 stars in MDAnalysis/parallelization-benchmarks•11 issue in MDAnalysis/parallelization-benchmarks•33 pull requests in MDAnalysis/parallelization-benchmarks•Updated Dec 15, 2025Dec 15, 2025

• solvation-analysis

  Public
  A comprehensive tool for analyzing liquid solvation structure.

  Python

  •

  GNU General Public License v3.0

  •1515 forks in MDAnalysis/solvation-analysis•5757 stars in MDAnalysis/solvation-analysis•1010 issues in MDAnalysis/solvation-analysis•00 pull requests in MDAnalysis/solvation-analysis•Updated Nov 26, 2025Nov 26, 2025

• UGM2025

  Public
  Materials for the 2025 MDAnalysis User Group Meeting

  Jupyter Notebook

  •

  Other

  •1717 forks in MDAnalysis/UGM2025•33 stars in MDAnalysis/UGM2025•44 issues in MDAnalysis/UGM2025•00 pull requests in MDAnalysis/UGM2025•Updated Nov 11, 2025Nov 11, 2025

• pytng

  Public
  Python bindings for TNG file format

  file-formatmolecular-dynamics-simulationgromacs+ 1

  file-formatmolecular-dynamics-simulationgromacstrajectory

  C

  •

  BSD 3-Clause "New" or "Revised" License

  •55 forks in MDAnalysis/pytng•1313 stars in MDAnalysis/pytng•1111 issues in MDAnalysis/pytng•11 pull request in MDAnalysis/pytng•Updated Oct 14, 2025Oct 14, 2025

• panedr

  Public
  Reads Gromacs EDR file to populate a pandas dataframe

  Python

  •

  GNU Lesser General Public License v2.1

  •77 forks in MDAnalysis/panedr•3434 stars in MDAnalysis/panedr•22 issues in MDAnalysis/panedr•00 pull requests in MDAnalysis/panedr•Updated Oct 12, 2025Oct 12, 2025

• imd-workshop-2024

  Public
  Materials for the virtual 2024 MDAnalysis IMD streaming workshop.

  pythonstreaminglammps+ 3

  pythonstreaminglammpsnamdgromacsmdanalysis

  Jupyter Notebook

  •33 forks in MDAnalysis/imd-workshop-2024•99 stars in MDAnalysis/imd-workshop-2024•00 issues in MDAnalysis/imd-workshop-2024•11 pull request in MDAnalysis/imd-workshop-2024•Updated Oct 7, 2025Oct 7, 2025