ChemistryAtlas Software and Tool

MDAnalysis

Molecular dynamics and simulationOpen/freechemistry softwaretrajectory analysisPythonmolecular dynamicsensembles

Python toolkit for analyzing molecular dynamics trajectories and structural ensembles.

Primary category: Molecular dynamics and simulation.
Access model: Open/free.
Curated because it is commonly encountered in chemistry research, teaching, analysis, or computational workflows.

Citation: Software resource: MDAnalysis

TypeSoftware and Tool
DomainMolecular dynamics and simulation
LicenseOpen/free
ContributorsNot specified