Software for Polymerization and Reaction Kinetics Simulations
Project description
SPARKS - Software for Polymerization and Reaction Kinetics Simulations
SPaRKS is a highly-modular framework for deterministic and stochastic simulations of polymerization and general reaction kinetics. It provides a unified interface to define and compare models and simulators, and parameter estimation. Written in Python.
Quick install
The easiest way to install SPaRKS is via pip:
pip3 install pysparks
We recommend setting a python virtual environment before installing the package.
python3 -m venv .venv
source .venv/bin/activate
Examples
There are jupyter notebooks in the docs/notebooks directory. More relevant examples can be found at the supporting data for the manuscript below. This can be found at this repository:
How to Cite
Citeable DOI for this version of SPaRKS:
If you use SPaRKS in your project, please cite
- Callan, D. H., and Bates, C. M. Efficient Deterministic Modeling of Reversile Copolymerizations, Macromolecules, 2025, doi:10.1021/acs.macromol.5c01421
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