On-line Material for DENOPTIM Workshop

This repository collects data sets for hands-on exercises performed during a DENOPTIM workshop.

Installation

For instructions to install DENOPTIM see doc/installation.md.

Exercises

Exercise 1.0: building transition metal complexes from fragments.
Exercise 2.0: evolutionary design of trans-Pt(X)(X')(L)(CO)
Exercise 3.0: evolutionary design of κ³-chelating ligand for Pt(II)-CO