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Polymers

 

Polymers Modeling Library

website examples

The library is implemented entirely in Rust, including the Python API. The Julia API calls the Rust library.

Python

docs (stable) docs (latest) pypi

The library can be installed as a Python package:

pip install polymers

Julia

docs (stable) docs (latest) Pkg

The library can be installed as a Julia package:

pkg> add Polymers

Rust

docs (stable) docs (latest) crates

The library can be added to an existing Rust project:

cargo add polymers

Citation

doi

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

license

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.

Sandia National Laboratories   U.S. Department of Energy   National Nuclear Security Administration

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525.