Hugging Face's logo

Datasets:
ByteDance-Seed
/
SCFbench

ArXiv:
License:
Dataset card Files
xet
Community
SCFbench
File size: 2,405 Bytes 
38ad8a5
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
 
<div align="center">
 👋 Hi, everyone! 
    <br>
    We are <b>ByteDance Seed team.</b>
</div>

<p align="center">
  You can get to know us better through the following channels👇
  <br>
  <a href="https://seed.bytedance.com/">
    <img src="https://img.shields.io/badge/Website-%231e37ff?style=for-the-badge&logo=bytedance&logoColor=white"></a>
  <a href="https://github.com/user-attachments/assets/5793e67c-79bb-4a59-811a-fcc7ed510bd4">
    <img src="https://img.shields.io/badge/WeChat-07C160?style=for-the-badge&logo=wechat&logoColor=white"></a>
 <a href="https://www.xiaohongshu.com/user/profile/668e7e15000000000303157d?xsec_token=ABl2-aqekpytY6A8TuxjrwnZskU-6BsMRE_ufQQaSAvjc%3D&xsec_source=pc_search">
    <img src="https://img.shields.io/badge/Xiaohongshu-%23FF2442?style=for-the-badge&logo=xiaohongshu&logoColor=white"></a>
  <a href="https://www.zhihu.com/org/dou-bao-da-mo-xing-tuan-dui/">
    <img src="https://img.shields.io/badge/zhihu-%230084FF?style=for-the-badge&logo=zhihu&logoColor=white"></a>
</p>

![seed logo](https://github.com/user-attachments/assets/c42e675e-497c-4508-8bb9-093ad4d1f216)


# Towards A Universally Transferable Acceleration Method for Density Functional Theory
Zhe Liu, Yuyan Ni, Zhichen Pu, Qiming Sun, Siyuan Liu & Wen Yan

https://arxiv.org/abs/2509.25724

# Citing SCFBench
If you use SCFBench in your research, please cite:
```latex
@misc{liu2025universallytransferableaccelerationmethod,
      title={Towards A Universally Transferable Acceleration Method for Density Functional Theory}, 
      author={Zhe Liu and Yuyan Ni and Zhichen Pu and Qiming Sun and Siyuan Liu and Wen Yan},
      year={2025},
      eprint={2509.25724},
      archivePrefix={arXiv},
      primaryClass={physics.chem-ph},
      url={https://arxiv.org/abs/2509.25724}, 
}
```


## License

The dataset is a derivative of [ChEMBL](https://www.ebi.ac.uk/chembl/), used under [CC BY-SA 3.0](https://creativecommons.org/licenses/by-sa/3.0/). 

Our modified version, the SCFBench dataset, is also licensed under [CC BY-SA 3.0](https://creativecommons.org/licenses/by-sa/3.0/).

## About [ByteDance Seed Team](https://seed.bytedance.com/)

Founded in 2023, ByteDance Seed Team is dedicated to crafting the industry's most advanced AI foundation models. The team aspires to become a world-class research team and make significant contributions to the advancement of science and society.