MDAnalysis's repositories
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
solvation-analysis
A comprehensive tool for analyzing liquid solvation structure.
GridDataFormats
GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
membrane-curvature
MDAnalysis tool to calculate membrane curvature.
MDAnalysis.github.io
MDAnalysis home page mdanalysis.org as GitHub pages.
MDAnalysisData
Access to data for workshops and extended tests of MDAnalysis.
cookiecutter-mdakit
Cookiecutter for Python packages based on MDAnalysis
transport-analysis
A Python package to compute and analyze transport properties.
MDAnalysisWorkshop-Intro0.5Day
Materials for the 2023 (and maybe beyond) MDAnalysis workshops
benchmarks
Performance benchmarks of MDAnalysis provided by ASV.
mda-xdrlib
Stand-alone XDRLIB module (from cpython 3.10.8)
mdanalysis-sphinx-theme
The official MDAnalysis Sphinx documentation theme.
waterdynamics
Analysis of water dynamics in molecular dynamics trajectories and water interactions with other molecules.
install-mdanalysis
Action to install MDAnalysis
PathSimAnalysis
An MDAKit that calculates the geometric similarity of molecular dynamics trajectories using path metrics such as the Hausdorff or Fréchet distances.
pypi-deployment
Reusable github action to package, deploy and and check code to PyPi & TestPyPi