Hi,
Thanks so much for your fantastic work on Open-Catalyst-Dataset.
I noticed that you used the pkl file to obtain the adsorbate object in the README.md .
If I want to use your model to predict the adsorption energy of some new adsorbents (such as benzene) on catalysts, how can I construct a new pkl file? Or is there another way?
BTW, if I want to construct a new bulk, is there any method?