Metadata-Version: 2.1
Name: pyatoms
Version: 0.0.1
Summary: Python automated tools for materials screening
Author: Xiang Feng
Author-email: buaamsefengxiang@buaa.edu.cn
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: ase>=3.23.0
Requires-Dist: matplotlib>=3.9.4
Requires-Dist: numpy>=1.26.4
Requires-Dist: prettytable>=3.12.0
Requires-Dist: pymatgen==2024.3.1
Requires-Dist: scipy>=1.13.1
Requires-Dist: setuptools>=75.6.0
Requires-Dist: statsmodels>=0.14.4

# pyatoms

The goal of **pyatoms** (Python automated tools for materials screening) is to enable automated, high-throughput computational screening of materials.

Currently, **pyatoms** is still in the early stages of development, and its features are primarily based on the methods that my collaborators and I have accumulated during our research on battery materials.

In the future, we aim to continually enhance **pyatoms** with the goal of achieving **real** automated materials screening.

## Installation

**pyatoms** can be easily installed using the following command:

```sh
pip install pyatoms
```
