Omkar2118/datasets huggingface dataset:
OQM9HK

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](https://oqmd.org) (OQMD) v1.5 containing more than one million entries, and is the successor to [the OQMD v1.2 dataset](https://paperswithcode.com/dataset/oqmd-v1-2) containing approximately 600k entries (OQM6HK).

* [Technical Report](https://storage.googleapis.com/rimcs_cgnn/oqm9hk_dataset_Sep_30_2022.pdf)
* [CGNN v1.1](https://github.com/Tony-Y/cgnn/tree/dev_v1.1)

![Histograms of materials properties](https://www.researchgate.net/profile/Takenori-Yamamoto-2/publication/364167371/figure/fig1/AS:11431281088057369@1664971652840/Histograms-of-formation-energy-volume-deviation-band-gap-and-total-magnetization-in_W640.jpg)