Dear OC2020 team,
First of all I would like to thank you for providing the dataset and the codebase.
I have been trying to employ your database and code for my research. However, I am not sure how to navigate through the .lmdb data files. My current research requires CH* binding energies on different catalyst surfaces that are computed after incorporating spin polarization. For this I need the .cif structures for the CH* adsorbates from your database.
I have been studying your codebase and I was able to read the .lmdb files, but I suppose these files only contain the crystal graphs and not the .cif structures (please correct me if I am wrong). Thus, if possible, may I request you to please help me with the .cif structure file for CH* adsorbate? It would greatly help me with my research.
I am looking forward to hearing from you.