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

• qm7b_shuffle2_dipoles.xyz: QM7b dataset with dipoles (in Debye) from B3LYP and CCSD, XYZ format, order randomized as in paper
• qm9_traintest_dipoles.xyz: QM9 sample with dipoles from B3LYP, XYZ format, ordered as described in README
• muml_showcase_dipoles.xyz: MuML showcase with dipoles from B3LYP, CCSD, and SCAN0, in XYZ format
• challenge_ahelix_geoms.xyz: Alpha-helix challenge series with dipoles from B3LYP, in XYZ format
• challenge_bstrand_geoms.xyz: Beta-strand challenge series with dipoles from B3LYP, in XYZ format
• challenge_glycine_geoms.xyz: Polyenoic amino acid challenge series with dipoles from B3LYP, in XYZ format
• challenge_saturated_glycine_geoms.xyz: n-amino carboxylic acid (saturated stretched glycine) challenge series with dipoles from B3LYP, in XYZ format
• README.md: More detailed technical description of the data