This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• point_charges_Training_set_p1.xyz: Dataset containing the structures and energies of "NaCl" atoms interacting via a pure Coulomb potential
• point_charges_Training_set_p6.xyz: Dataset containing the structures and energies of atoms interacting via a pure dispersion (1/r^6) potential
• bio_dimers.xyz: Dataset containing structures and DFT energies & forces of dimers taken from sidechain-sidechain fragments in biomolecules
• bio_dimers_monomers.xyz: The structures and DFT energies & forces of the individual monomers contained in the "bio_dimers.xyz" dataset
• bio_dimers_control.in: The FHI-AIMS input file to compute the energies of the "bio_dimers.xyz" and "bio_dimers_monomers.xyz" structures
• xenon.xyz: Dataset containing structures and DFT energies & forces of Xenon dimers and trimers
• xenon_control.in: The FHI-AIMS input file to compute the energies and forces of the structures in "xenon.xyz"