Analysis of overpotental calculations in the Open Catalyst datasets

Repository for the paper "Adsorption energies are necessary but not sufficient to identify good catalysts"

How to use

To reproduce the figures, clone the repo and run:

python her_figure.py # for Figure 1
python oer_figure.py # for Figure 2
python stability_figure.py # for Figure 3
python similarity_analysis.py # for Table 4