Python automated tools for materials screening
Project description
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:
pip install pyatoms
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