Polymers Modeling Library

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

Python

The library can be installed as a Python package using

pip install polymers

or as Python package within a Conda environment using

conda install --channel mrbuche polymers

If Rust is installed, the latest edition of the library can be installed from the main branch of 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

The latest edition of the library can be installed as a Julia package using

using Pkg
Pkg.add(url="https://github.com/sandialabs/Polymers")
Pkg.build("Polymers")

or as Julia package within a Conda environment using

conda install --channel mrbuche polymers

The library can be used in an existing Rust project by adding the polymers crate as a dependency in Cargo.toml:

[dependencies]
polymers = "*"

The asterisk * represents the newest released version of the crate, and should be changed to a specific version.

To use the latest edition of the library, add the main branch of the GitHub repository to Cargo.toml:

[dependencies]
regex = { git = "https://github.com/sandialabs/polymers" }

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