MDverse is the data catalogue of molecular dynamics (MD) simulations. It indexes, annotates and shares datasets and files related to MD simulations with the purpose of fostering dissemination and reuse.

MDverse is not a data repository and does not host any MD data. It works like a search engine with added values for the MD community.

MDverse metadata will be integrated into a the discovery platform developed by the EOSC LUMEN project.

MDverse has been created by Johanna Tiemann, Matthieu Chavent and Pierre Poulain. See original publication: MDverse, shedding light on the dark matter of molecular dynamics simulations, eLife, 2024 (DOI 10.7554/eLife.90061.3).

📝 The “Dark Matter of Molecular Dynamics Simulations” refers to data that is technically accessible, but neither indexed, curated, or easily searchable.

MDverse is now maintained and operated by Matthieu Chavent and Pierre Poulain.