The overlay structure of the NMRlipids Databank, illustrated in Fig. , is designed to enable efficient upcycling of MD simulations for data-driven and machine learning applications with minimal investment on new infrastructure. Raw simulation data in the Data layer can be stored in any publicly available location with long term stability and with permanent links to the data, such as digital object identifiers (DOIs), such as Zenodo (zenodo.org). The Databank layer (github.com/NMRlipids/Databank) is the core of the Databank containing all the relevant information about the simulations: links to the raw data, relevant metadata describing the systems, universal naming conventions for lipids and their atoms, quality evaluation of simulations against experimental data, and the computer programs to create the entries and to analyse the five basic properties extracted from all simulations (area per lipid, C-H bond order parameters, X-ray scattering form factors, membrane thickness, and equilibration times of principal components). Also the values for these five basic properties are stored in the Databank layer.