#julia #python #rust

polymers

Polymers Modeling Library

28 releases

0.3.7 Jun 21, 2023
0.3.5 May 8, 2023
0.2.1 Mar 21, 2023
0.1.0 Jun 24, 2022
0.0.0 Sep 8, 2022

#3 in #julia

BSD-3-Clause

14MB
262K SLoC

Python 102K SLoC // 0.1% comments Julia 96K SLoC Rust 64K SLoC // 0.0% comments Shell 8 SLoC

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:

using Pkg
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.

Dependencies

~0–6.5MB
~22K SLoC