an automatic reaction network generator for reactive molecular dynamics simulation
LGPL-3.0 License
An automatic reaction network generator for reactive molecular dynamics simulation.
ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamic simulations, Phys. Chem. Chem. Phys., 2020, 22 (2): 683–691, doi: 10.1039/C9CP05091D
[email protected] (Jinzhe Zeng), [email protected] (Tong Zhu)
The latest version requires Python 3.7 or later.
You can install ReacNetGenerator with conda
:
conda install reacnetgenerator -c conda-forge
reacnetgenerator -h
See the guide to learn how to install and use ReacNetGenerattor. We also provide a series of tutorials to help you learn ReacNetGenerator.