PyAR

Python code for Aggregation and Reaction

A free software for a) automated exploration of reactions between two reactants, b) automated workflow for prodicting the gemoetries of molecular aggregates and clusters.

Download from github

Install with

python3 -m pip install git+https://github.com/anooplab/pyar.git

and to upgrade:

python3 -m pip install –upgrade git+https://github.com/anooplab/pyar.git