
    ProteinFragments is a dataset constructed from a subset of the
    the data was generated from a top-down and bottom-up approach:

    Top-down:
        Fragments are generated by cutting out a spherical
        region around an atom (including solvent molecules)
        and saturating all dangling bonds.
        Sampling was done with the Molecular Dynamics (MD) method from
        conventional FF at room temperature.

    Bottom-up:
        Fragments are generated by constructing chemical graphs
        of one to eight nonhydrogen atoms.
        Sampling of multiple conformers per fragments was done with
        MD simulations at high temperatures or normal mode sampling.


    

:
        https://www.science.org/doi/10.1126/sciadv.adn4397
    