MDAnalysis
NumFOCUS Sponsored Project since 2020MDAnalysis is a Python library for the analysis of computer simulations of many-body systems at the molecular scale, spanning use cases from interactions of drugs with proteins to novel materials. It is widely used in the scientific community and is written by scientists for scientists.
Share This Project:
Industry
Higher Education Research & Teaching
Language
Python
Features
Data Wrangling, Big Data, High Performance Computing, Numerical Computing, Subject Area Libraries
MDAnalysis is a project written by scientists for scientists and is used for cutting edge research in biophysics, chemistry, soft-matter physics, and materials research around the world in academia and national research labs. MDAnalysis strives to be highly interoperable and hence a growing number of projects use MDAnalysis as their foundational library or integrate it.

