Streamlined interface for managing atomistic structure data.
Project description
Streamlined interface for managing atomistic structure data.
Streamlined interface for managing atomistic structure data through Materia. Defines unified and intuitive functionality for manipulating atomistic structure data leveraging the power of Openbabel.
Getting Started
Installing
From pip:
pip install materia-structure
From conda:
conda install -c conda-forge -c kijana materia-structure
Documentation
See documentation here.
Examples
See example scripts in Examples.
License
This project is licensed under the MIT License - see the LICENSE file for details.
Contributing
See CONTRIBUTING.
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