Code that powered Performance of genetic algorithms in search for water splitting perovskites by A. Jain et al. Data set may be obtained upon request from dwinston [at] lbl [dot] gov.

ga_optimization_ternary/simple_ga.py is the main script.

For setup, once in a Python virtual environment and in the base directory:

$ pip install -r requirements.txt
$ export PYTHONPATH=`pwd`:$PYTHONPATH # or e.g. `add2virtualenv .`

To set up the db:

$ python db_setup/initialize_db.py