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. See README.txt for details.
• README.txt: Description of computed properties.
• cof-database.aiida: AiiDA database containing all structures and properties. Generated with aiida v0.12.0.