OQM9HK
Overview
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).
Variants: OQM9HK
Associated Benchmarks
This dataset is used in 1 benchmark:
Recent Benchmark Submissions
| Task | Model | Paper | Date |
|---|---|---|---|
| Formation Energy | SchNet | SchNet: A continuous-filter convolutional neural … | 2017-06-26 |
Research Papers
Recent papers with results on this dataset:
External Links: