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ChiralityMisunderstanding

★ 13 Open GitHub ↗

Transformer in Chemical Language Model sometimes misunderstands chirality

// repository documentation

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# Difficulty in chirality recognition for Transformer architectures learning chemical structures from string representations
Investigation on procedure of Transformer learning chemical structure.

## Publication
- [peer-reviewed publication](https://www.nature.com/articles/s41467-024-45102-8)  
- [preprint](https://arxiv.org/pdf/2303.11593)

## Citation
Yoshikai Y, Mizuno T, Nemoto S, Kusuhara H. Difficulty in chirality recognition for Transformer architectures learning chemical structures from string representations. Nat Commun. 2024 Feb 16;15(1):1197. doi: 10.1038/s41467-024-45102-8. PMID: 38365821; PMCID: PMC10873378.

## Authors
- [Yasuhiro Yoshikai](https://github.com/yyoshikai)  
    - main contributor  
- [Shumpei Nemoto](https://github.com/Nemoto-S)  
- [Tadahaya Mizuno](https://github.com/tadahayamiz)  
    - correspondence

## How to use
For how to build an environment and use our codes, see [usage.md](usage.md)

## Contact
If you have any questions or comments, please feel free to create an issue on github here, or email us:  
- yyoshikai12[at]gmail.com  
- tadahaya[at]gmail.com  
    - lead contact

ChiralityMisunderstanding

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