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

BoronateEster_2D.tar.xz: Structure files of the 2D boronate ester COFs
BoronateEster_3D.tar.xz: Structure files of the 3D boronate ester COFs
Boroxine_2D.tar.xz: Structure files of the 2D boroxine COFs
Boroxine_3D.tar.xz: Structure files of the 3D boroxine COFs
Borosilicate_2D.tar.xz: Structure files of the 2D borosilicate COFs
Borosilicate_3D.tar.xz: Structure files of the 3D borosilicate COFs
Imine_2D.tar.xz: Structure files of the 2D imine COFs
Imine_3D.tar.xz: Structure files of the 3D imine COFs
Acylhydrazone_2D.tar.xz: Structure files of the 2D (acyl)hydrazone COFs
Acylhydrazone_3D.tar.xz: Structure files of the 3D (acyl)hydrazone COFs
Azine_2D.tar.xz: Structure files of the 2D azine COFs
Azine_3D.tar.xz: Structure files of the 3D azine COFs
Imide_2D.tar.xz: Structure files of the 2D imide COFs
Imide_3D.tar.xz: Structure files of the 3D imide COFs
Oxazoline_2D.tar.xz: Structure files of the 2D oxazoline COFs
Oxazoline_3D.tar.xz: Structure files of the 3D oxazoline COFs
Ketoenamine_2D.tar.xz: Structure files of the 2D (keto)enamine COFs
Ketoenamine_3D.tar.xz: Structure files of the 3D (keto)enamine COFs
Triazine_2D.tar.xz: Structure files of the 2D triazine COFs
Triazine_3D.tar.xz: Structure files of the 3D triazine COFs
Borazine_2D.tar.xz: Structure files of the 2D borazine COFs
Borazine_3D.tar.xz: Structure files of the 3D borazine COFs
pars.txt: The ab initio derived, system-specific force field parameters for all structures
sorted_maxmin.txt: Order of the structures obtained by a maxmin algorithm
extract_subset.sh: Post-processing script to extract a diverse subset
extract_pars.sh: Post-processing script to extract force field parameters for one structure
write_to_cif.py: Post-processing script to convert chk file to cif format
logo.pdf: Logo of the ReDD-COFFEE database
logo.png: Logo of the ReDD-COFFEE database
README.md: Description of the ReDD-COFFEE database