EperLuo/PubChemQH download history
EperLuo/PubChemQH is a dataset on the Hugging Face Hub. In the last 30 days it was downloaded 1,213 times (279 in the last 7 days), and 44,741 times in total. It ranks #16,725 among datasets by monthly downloads.
Introduction Welcome! This is the dataset used in the ICML'25 paper Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity and ICLR'24 paper Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonian for Scalable Molecular Systems. For