The dataset is currently empty. Upload or create new data files. Then, you will be able to explore them in the Dataset Viewer.
YAML Metadata
Warning:
empty or missing yaml metadata in repo card
(https://huggingface.co/docs/hub/datasets-cards)
Dataset Details
Dataset Description
Structures (including conformers, protomers, ...) of structures. Has been used for training of OrbNet Denali.
- Curated by:
- License: CC BY 4.0
Dataset Sources
Citation
BibTeX:
@article{Christensen_2021,
doi = {10.1063/5.0061990},
url = {https://doi.org/10.1063%2F5.0061990},
year = 2021,
month = {nov},
publisher = {{AIP} Publishing},
volume = {155},
number = {20},
author = {Anders S. Christensen and Sai Krishna Sirumalla and Zhuoran Qiao and Michael B. O'Connor and Daniel G. A. Smith and Feizhi Ding and Peter J. Bygrave and Animashree Anandkumar and Matthew Welborn and Frederick R. Manby and Thomas F. Miller},
title = {{OrbNet} Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and {DFT} accuracy},
journal = {The Journal of Chemical Physics}
}
- Downloads last month
- 1