ANI-1 dataset with added atomic volume ratios restricted to CHNO atoms for DNN-MBD

Description

ANI-1 dataset with added atomic volume ratios restricted to CHNO atoms for DNN-MBD

Resources

Name Format Description Link
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-6397639
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-6397639
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-6397639

Tags

  • atomic-volume
  • many-body-dispersion
  • deep-neural-network
  • quantum-chemistry

Topics

Categories