NMRlipids Databank
NMRlipids Databank is a community-driven catalogue containing
atomistic MD simulations of biologically relevant
lipid membranes emerging from the NMRlipids open
collaboration.
It has been designed to improve the Findability, Accessibility, Interoperability, and Reuse
(FAIR) of MD simulation data.
NMRlipids databank is implemented using overlay databank structure described more detailed in
the databank publication.
NMRlipids Databank-GUI (this website) can be used to browse and search the content of the
Databank, to select the best available simulations for specific systems based on ranking lists,
and to perform comparisons between basic properties of membranes.
NMRlipids Databank-API provides
programmatic access to all simulation data in the NMRlipids Databank. This enables wide range of
novel data-driven applications —
from construction of machine learning models that predict membrane properties to automatic
analysis of virtually any property across all simulations in the Databank.
A template
and other examples for applications of NMRlipids Databank-API are available at GitHub and in the NMRlipids databank publication.
If you use the NMRlipids databank in your publications, ease always cite the NMRlipids Databank
publication,
as well as the trajectory entries and related publications whenever appropriate.
That said, all the content is provided as is: There is no guarantee that the content is correct
or suitable for any purpose — you should check it yourself (and please let us know once you find
bugs).
