Dataset Groups Activity Stream CrossDocked2020 Structure-based drug design (SBDD), which can be formulated as generating 3D molecules conditioned on protein pockets, is an important and challenging task in drug discovery. BibTex: @dataset{Xinze_Li_and_Penglei_Wang_and_Tianfan_Fu_and_Wenhao_Gao_and_Chengtao_Li_and_Leilei_Shi_and_Junhong_Liu_2024, abstract = {Structure-based drug design (SBDD), which can be formulated as generating 3D molecules conditioned on protein pockets, is an important and challenging task in drug discovery.}, author = {Xinze Li and Penglei Wang and Tianfan Fu and Wenhao Gao and Chengtao Li and Leilei Shi and Junhong Liu}, doi = {10.57702/o7ipa0l9}, institution = {No Organization}, keyword = {'3D molecules', 'ligand molecules', 'molecules', 'protein pockets', 'structure-based drug design', 'target binding site'}, month = {dec}, publisher = {TIB}, title = {CrossDocked2020}, url = {https://service.tib.eu/ldmservice/dataset/crossdocked2020}, year = {2024} }