MDAnalysis 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.

To learn more about us, visit our website at mdanalysis.org.

We post news

Be part of the MDAnalysis community and get in touch with us in our Google groups and on Discord.

We look forward to hear from you!