Dataset Groups Activity Stream ZINC250K The ZINC250K dataset is a large dataset of molecules used for molecular design and generation. It contains 250,000 molecules with their corresponding properties and structures. BibTex: @dataset{Haote_Li_and_Yu_Shee_and_Brandon_Allen_and_Federica_Maschietto_and_Victor_Batista_2024, abstract = {The ZINC250K dataset is a large dataset of molecules used for molecular design and generation. It contains 250,000 molecules with their corresponding properties and structures.}, author = {Haote Li and Yu Shee and Brandon Allen and Federica Maschietto and Victor Batista}, doi = {10.57702/tt0mov56}, institution = {No Organization}, keyword = {'Chemical Design', 'ZINC250K', 'chemical database', 'drug-like molecules', 'molecular design', 'molecular generation', 'molecular structures', 'molecule properties'}, month = {dec}, publisher = {TIB}, title = {ZINC250K}, url = {https://service.tib.eu/ldmservice/dataset/zinc250k}, year = {2024} }
