---
language:
- en
library_name: transformers
tags:
- chemistry
- molecular-editing
- agentic-rl
license: apache-2.0
base_model:
- Qwen/Qwen2.5-7B-Instruct
---

# MolEditAgent-7B

**MolEditAgent** is the Stage-1 model of the **MolAct** framework. It is fine-tuned to master basic molecular editing primitives within an agentic loop.

### Key Features
- **Actionable Operations:** Learns to perform `Add`, `Delete`, and `Substitute` operations on SMILES.
- **Tool-Augmented:** Trained to interact with chemical tools for validity checking and similarity control.
- **Agentic Reasoning:** Unlike static generators, it can "Think" and "Call" tools to refine the editing process.

### Training & Usage
This model serves as the foundation for property-driven optimization. 
- **Code:** [https://github.com/little1d/MolAct](https://github.com/little1d/MolAct)
- **ArXiv** [https://arxiv.org/abs/2512.20135](https://arxiv.org/abs/2512.20135)


If you use MolAct in your research, please cite:

```bibtex
@article{molact2025,
  title={MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization},
  author={Zhuo Yang and Yeyun Chen and Jiaqing Xie and Ben Gao and Shuaike Shen and Wanhao Liu and Liujia Yang and Beilun Wang and Tianfan Fu and Yuqiang Li},
  year={2025},
  eprint={2512.20135},
  archivePrefix={arXiv},
  primaryClass={cs.AI},
  url={https://arxiv.org/abs/2512.20135}
}
```