Dataset Groups Activity Stream Uni-Mol The Uni-Mol dataset contains 208M conformations for 12M molecules and 3.2M spatial structures of protein pockets. BibTex: @dataset{Artem_Zholus_and_Maksim_Kuznetsov_and_Roman_Schutski_and_Rim_Shayakhmetov_and_Daniil_Polykovskiy_and_Sarath_Chandar_and_Alex_Zhavoronkov_2024, abstract = {The Uni-Mol dataset contains 208M conformations for 12M molecules and 3.2M spatial structures of protein pockets.}, author = {Artem Zholus and Maksim Kuznetsov and Roman Schutski and Rim Shayakhmetov and Daniil Polykovskiy and Sarath Chandar and Alex Zhavoronkov}, doi = {10.57702/1bad80nw}, institution = {No Organization}, keyword = {'molecular generation', 'molecules', 'protein pockets'}, month = {dec}, publisher = {TIB}, title = {Uni-Mol}, url = {https://service.tib.eu/ldmservice/dataset/uni-mol}, year = {2024} }
