Dataset Groups Activity Stream libmolgrid: GPU Accelerated Molecular Gridding Chemical datasets have many physical and statistical properties that prove problematic for machine learning approaches and special care must be taken to manage them. BibTex: @dataset{Jocelyn_Sunseri_and_David_R_Koes_2024, abstract = {Chemical datasets have many physical and statistical properties that prove problematic for machine learning approaches and special care must be taken to manage them.}, author = {Jocelyn Sunseri and David R. Koes}, doi = {10.57702/tvuhu8ib}, institution = {No Organization}, keyword = {'Chemical Datasets', 'GPU Accelerated Molecular Gridding', 'Machine Learning'}, month = {dec}, publisher = {TIB}, title = {libmolgrid: GPU Accelerated Molecular Gridding}, url = {https://service.tib.eu/ldmservice/dataset/libmolgrid--gpu-accelerated-molecular-gridding}, year = {2024} }
