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

  • liquid-64water-AIMD-RPBE-D3-validation-data.tar.bz2: Independent validation set with additional structures of bulk liquid water.
  • LMNTO-SCAN-validation-data.tar.bz2: Independent validation set with additional LMNTO structures.
  • water-clusters-BLYP-D3.tar.bz2: Structures of water clusters.
  • README.txt: README.txt
  • liquid-64water-AIMD-RPBE-D3-train-test-data.tar.bz2: Structures of bulk liquid water used for training and testing ANN potentials.
  • LMNTO-SCAN-train-data.tar.bz2: LMNTO structures used for training ANN potentials.