Dataset Groups Activity Stream GNINA GNINA dataset for molecular docking, used for benchmarking docking methods. BibTex: @dataset{Rishal_Aggarwal_and_Henry_Dieckhaus_and_James_Wellnitz_and_Josh_Hochuli_and_Kathryn_Kirchoff_and_Travis_Maxfield_2024, abstract = {GNINA dataset for molecular docking, used for benchmarking docking methods.}, author = {Rishal Aggarwal and Henry Dieckhaus and James Wellnitz and Josh Hochuli and Kathryn Kirchoff and Travis Maxfield}, doi = {10.57702/bdie1lrd}, institution = {No Organization}, keyword = {'ligand pose prediction', 'molecular docking', 'protein-ligand complex'}, month = {dec}, publisher = {TIB}, title = {GNINA}, url = {https://service.tib.eu/ldmservice/dataset/gnina}, year = {2024} }
