MDAnalysis's repositories
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
solvation-analysis
A comprehensive tool for analyzing liquid solvation structure.
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.
transport-analysis
A Python package to compute and analyze transport properties.
cookiecutter-mdakit
Cookiecutter for Python packages based on MDAnalysis
waterdynamics
Analysis of water dynamics in molecular dynamics trajectories and water interactions with other molecules.
RDKitConverter-benchmark
Benchmark for the RDKitConverter's inferring of bond orders and charges
benchmarks
Performance benchmarks of MDAnalysis provided by ASV.
helanal
A package to characterise the geometry of protein helicies.
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