Polymers Modeling Library

This is the documentation for Python API, which is implemented in Rust.

Installation

The library can be installed as a Python package using

pip install polymers

If Rust is installed, the latest edition of the library can be installed from the GitHub repository:

git clone git@github.com:sandialabs/Polymers.git
cd Polymers/
pip install maturin
maturin build --features python
pip install target/wheels/*.whl

Citation

Michael R. Buche. Polymers Modeling Library. Zenodo (2023).

Copyright

Copyright 2022 National Technology & Engineering Solutions of Sandia, LLC (NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S. Government retains certain rights in this software.