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EperLuo/PubChemQH

832 downloads in 30 days2 likesLast modified 20 Oct 2025View on Hugging Face
Permissive or share-alike

The declared licence (mit) is classified as permissive.

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mit, from the tagEvidence: README.md at c462018
Licence files
No licence file at the top level of the repositoryEvidence: file list at c462018
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Citation text from the card

@InProceedings{pmlr-v267-luo25l,
  title = 	 {Efficient and Scalable Density Functional Theory {H}amiltonian Prediction through Adaptive Sparsity},
  author =       {Luo, Erpai and Wei, Xinran and Huang, Lin and Li, Yunyang and Yang, Han and Xia, Zaishuo and Wang, Zun and Liu, Chang and Shao, Bin and Zhang, Jia},
  booktitle = 	 {Proceedings of the 42nd International Conference on Machine Learning},
  pages = 	 {41368--41390},
  year = 	 {2025},
  volume = 	 {267},
  series = 	 {Proceedings of Machine Learning Research},
  month = 	 {13--19 Jul},
  publisher =    {PMLR},
  pdf = 	 {https://raw.githubusercontent.com/mlresearch/v267/main/assets/luo25l/luo25l.pdf},
  url = 	 {https://proceedings.mlr.press/v267/luo25l.html}
}

@inproceedings{
li2025enhancing,
title={Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems},
author={Yunyang Li and Zaishuo Xia and Lin Huang and Xinran Wei and Samuel Harshe and Han Yang and Erpai Luo and Zun Wang and Jia Zhang and Chang Liu and Bin Shao and Mark Gerstein},
booktitle={The Thirteenth International Conference on Learning Representations},
year={2025},
url={https://openreview.net/forum?id=twEvvkQqPS}
}

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dataset_licence({ "id": "EperLuo/PubChemQH" })
signal: "permissive"
stated_licence: "mit"
sources: 0