Metadata-Version: 2.1
Name: materials-eunomia
Version: 1.0
Summary: Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts
Home-page: https://github.com/AI4ChemS/Eunomia
Author: Mehrad Ansari
Author-email: mehrad.ans@gmail.com
License: MIT license
Keywords: eunomia
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Python: >=3.6
Description-Content-Type: text/markdown
License-File: LICENSE
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Requires-Dist: python-Levenshtein

![example workflow](https://github.com/github/docs/actions/workflows/test.yml/badge.svg)
[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT)
[![Streamlit App](https://static.streamlit.io/badges/streamlit_badge_black_white.svg)](https://eunomia.streamlit.app/)
[![PyPI version](https://badge.fury.io/py/materials-eunomia.svg)](https://badge.fury.io/py/materials-eunomia)

# Eunomia
AI Agent Chemist for Developing Materials Datasets

![TOC](https://github.com/AI4ChemS/Eunomia/assets/51170839/9fa4d4a7-4997-4a8a-9483-8bea6911b131)

## 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.

![cov_with_flow](https://github.com/AI4ChemS/Eunomia/assets/51170839/2db06b6f-327c-462d-a2c5-7d69737f9ce9)


Live App
--------
[https://eunomia.streamlit.app/](https://eunomia.streamlit.app/)

Example 1: Molecular Targets and Peptide Sequences
--------

[VEGFR example](https://github.com/AI4ChemS/Eunomia/assets/51170839/26350a96-e7ba-47ad-90e0-4b388d58223d)

Example 2: Water Stable Metal-organic Frameworks
--------

[Water stability example](https://github.com/AI4ChemS/Eunomia/assets/51170839/ccd89e31-e7b4-49e8-b90f-c420438e751d)

Example 3: Thermal Conductivity of Metal-organic Frameworks
--------

[Thermal conductivity example](https://github.com/AI4ChemS/Eunomia/assets/51170839/d12afb51-669c-4a3f-b9be-171bec830915)


Installation
--------

```bash
pip install materials-eunomia
```

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

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

Confirm correct installation by running the unittests:

```bash
cd tests && python -m unittest discover
```


