OQM9HK
홈페이지 · 논문 2편
This is a large-scale dataset of quantum-mechanically calculated properties (DFT level) of crystalline materials for graph representation learning that contains approximately 900k entries (OQM9HK). This dataset is constructed on the basis of the Open Quantum Materials Database (OQMD) v1.5 containing more than one million entries, and is the successor to the OQMD v1.2 dataset containing approximately 600k entries (OQM6HK). * Technical Report * CGNN v1.1 !Histograms of materials properties
