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

• qm7b_coords.xyz: Extended XYZ file containing the coordinates of the 7211 molecules of the QM7b database, dressed by their dipole polarizabilities with CCSD, B3LYP-DFT and SCAN0-DFT (all computed using a d-aug-cc-pVDZ basis set).
• showcase_1_coords.xyz: Extended XYZ file containing the coordinates of 52 showcase molecules, dressed by their dipole polarizabilities with CCSD, B3LYP-DFT and SCAN0-DFT (all computed using a d-aug-cc-pVDZ basis set).
• showcase_2_coords.xyz: Extended XYZ file containing the coordinates of 12 showcase molecules, dressed by their dipole polarizabilities with CCSD and B3LYP-DFT (all computed using a d-aug-cc-pVDZ basis set).
• README.txt: README file for this data.
• CCSD_daDZ.tar.gz: Extended XYZ file containing the coordinates of 7211 molecules in QM7b database and 52 molecules in AlphaML database, dressed by their quantum physical properties (see the corresponding paper for details) computed at CCSD/daDZ level. All the corresponding output files are also attached.
• B3LYP_daDZ.tar.gz: Extended XYZ file containing the coordinates of 7211 molecules in QM7b database and 52 molecules in AlphaML database, dressed by their quantum physical properties (see the corresponding paper for details) computed at B3LYP/daDZ level. All the corresponding output files are also attached.
• B3LYP_daTZ.tar.gz: Extended XYZ file containing the coordinates of 7211 molecules in QM7b database and 52 molecules in AlphaML database, dressed by their quantum physical properties (see the corresponding paper for details) computed at B3LYP/daTZ level. All the corresponding output files are also attached.
• SCAN0_daDZ.tar.gz: Extended XYZ file containing the coordinates of 7211 molecules in QM7b database and 52 molecules in AlphaML database, dressed by their quantum physical properties (see the corresponding paper for details) computed at SCAN0/daDZ level. All the corresponding output files are also attached. Note: the *_grnd.out files are for the ground state calculations.