OpenMol/ChemCoTBench-CoT

|- mol_edit/
|---- add.json
|---- delete.json
|---- sub.json

|- mol_opt/
|---- drd.json
|---- gsk.json
|---- jnk.json
|---- qed.json

|- mol_und/
|---- fg_count.json
|---- Murcko_scaffold.json
|---- ring_count.json
|---- ring_system_scaffold.json

Citation

If you find our work helpful, feel free to give us a cite.

@article{li2025chemicalqaevaluatingllms,
      title={Beyond Chemical QA: Evaluating LLM's Chemical Reasoning with Modular Chemical Operations}, 
      author={Hao Li and He Cao and Bin Feng and Yanjun Shao and Xiangru Tang and Zhiyuan Yan and Li Yuan and Yonghong Tian and Yu Li},
      year={2025},
      eprint={2505.21318},
      archivePrefix={arXiv},
      primaryClass={cs.AI},
      url={https://arxiv.org/abs/2505.21318}, 
}