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

  • structures.tgz: Structures for 69,840 novel covalent organic frameworks (COFs) assembled in silico. The structures were relaxed using classical force fields (Dreiding) in LAMMPS.
  • properties.tgz: Properties of all structures in CSV format.
  • cof-database.aiida: AiiDA database of containing structures and properties. Generated with aiida v0.11.3.