.. This file is autogenerated by dev/scripts/generate_page.py Summary ======= :code:`load_atoms` maintains a database of (named) datasets for ease of use. These can be downloaded from the internet (and cached locally) using :func:`~load_atoms.load_dataset`: .. list-table:: :header-rows: 1 * - - Elements - # Atoms - # Structures - License - Year * - :doc:`AC-2D-22 <../datasets/AC-2D-22>` - C - 30,000 - 150 - `CC BY-NC-SA 4.0 `_ - 2022 * - :doc:`ANI-1ccx <../datasets/ANI-1ccx>` - H, C, N, O - 6,763,288 - 489,571 - `CC0 `_ - 2019 * - :doc:`ANI-1x <../datasets/ANI-1x>` - H, C, N, O - 75,700,481 - 4,956,005 - `CC0 `_ - 2018 * - :doc:`C-GAP-17 <../datasets/C-GAP-17>` - C - 284,965 - 4,530 - `CC BY-NC-SA 4.0 `_ - 2017 * - :doc:`C-GAP-20U <../datasets/C-GAP-20U>` - C - 400,275 - 6,088 - `GPLv3 `_ - 2020 * - :doc:`C-SYNTH-23M <../datasets/C-SYNTH-23M>` - C - 23,041,200 - 115,206 - `MIT `_ - 2022 * - :doc:`GST-GAP-22 <../datasets/GST-GAP-22>` - Ge, Sb, Te - 341,132 - 2,692 - `CC BY 4.0 `_ - 2022 * - :doc:`P-GAP-20 <../datasets/P-GAP-20>` - P - 140,910 - 4,798 - `CC BY 4.0 `_ - 2020 * - :doc:`QM7 <../datasets/QM7>` - H, C, N, O, S - 110,650 - 7,165 - None - 2012 * - :doc:`QM9 <../datasets/QM9>` - H, C, N, O, F - 2,407,753 - 133,885 - `CC0 `_ - 2014 * - :doc:`Si-GAP-18 <../datasets/Si-GAP-18>` - Si - 171,815 - 2,475 - `CC BY-NC-SA 4.0 `_ - 2018 * - :doc:`SiO2-GAP-22 <../datasets/SiO2-GAP-22>` - O, Si - 268,118 - 3,074 - `CC BY 4.0 `_ - 2022 * - :doc:`SiOx-ACE-24 <../datasets/SiOx-ACE-24>` - O, Si - 1,258,198 - 11,428 - `CC BY 4.0 `_ - 2024