materials-eunomia 1.0

Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts

Eunomia

AI Agent Chemist for Developing Materials Datasets

Iterative-Chain-of-Verification (CoV)

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.

Live App

https://eunomia.streamlit.app/

Example 1: Molecular Targets and Peptide Sequences

VEGFR example

Example 2: Water Stable Metal-organic Frameworks

Water stability example

Example 3: Thermal Conductivity of Metal-organic Frameworks

Thermal conductivity example

Installation

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 .

Confirm correct installation by running the unittests:

cd tests && python -m unittest discover