Table 2.

List of Target and Chemical databases.

Reference	Description	Link
PDB [75]	Protein data bank archive provides information about 3D structure of protein, nucleic acids and complex assemblies	https://www.rcsb.org/
UniProt [28]	An open resource of protein sequences and functional information	https://www.uniprot.org/
Atom3D [76]	A benchmark of existing datasets of 3D molecules, spanning on several types	https://github.com/drorlab/atom3d
TTD [77]	A therapeutic target database	http://db.idrblab.net/ttd/
MoleculeNet [78]	A benchmark of datasets for molecular machine learning	https://moleculenet.org/