Dataset Groups Activity Stream WS22 Database A dataset of 120,000 geometries from the WS22 database, sampled to 15,000 geometries for each molecule. BibTex: @dataset{Vivin_Vinod_and_Peter_Zaspel_2024, abstract = {A dataset of 120,000 geometries from the WS22 database, sampled to 15,000 geometries for each molecule.}, author = {Vivin Vinod and Peter Zaspel}, doi = {10.57702/c5r4rd6a}, institution = {No Organization}, keyword = {'WS22 database', 'molecular geometry', 'quantum chemistry'}, month = {dec}, publisher = {TIB}, title = {WS22 Database}, url = {https://service.tib.eu/ldmservice/dataset/ws22-database}, year = {2024} }
