AI Agent Chemist for Developing Materials Datasets

Eunomia employs a chain-of-verification process iteratively to minimize the likelihood of hallucination, as well as integrating chemistry-informed knowledge into decision-making and action-taking plannings of the LLM.

https://eunomia.streamlit.app/

pip install materials-eunomia

or you can clone the source code and install in developer mode:

git clone https://github.com/AI4ChemS/Eunomia.git && cd Eunomia
pip install -e .

You need to have a valid OPENAI API key. If you are on a windows machine you can add OPENAI_API_KEY in your Environment Variables. For linux systems set the key by adding this line to ~/.bashrc:

export OPENAI_API_KEY=your_api_key_here

Confirm correct installation by running the unittests:

cd tests && python -m unittest discover

Eunomia uses openAI's gpt-4 by default but you can use other LLMs for driving the agent as well. Check out this notebook for examples.

For more details checkout preprint and if you are using our methodology, please consider citing us using the citation below:

@misc{ansari2023agentbased,
      title={Agent-based Learning of Materials Datasets from Scientific Literature}, 
      author={Mehrad Ansari and Seyed Mohamad Moosavi},
      year={2023},
      eprint={2312.11690},
      archivePrefix={arXiv},
      primaryClass={cs.AI}
}