- Author: Sebastian Schwalbe (SS, theonov13@gmail.com)
- Side-kick: Kai Trepte (KT, trept1k@cmich.edu)
- Coding language: python2.7
PyLEWIS requires the following python packages:
- rdkit
- ase
- numpy
No further installation is need.
Please go to the examples directory and try one of the examples.