Host and guest structure files in the forms of MOL2, PDB, and SDF, as well as SMILES strings of guests were prepared, and pub-lished on the GitHub repository at the official start of each challenge. Where applicable, host and guest structures were provided with reasonable protonation states. However, some protonation states were questionable, thus participants were advised to exercise caution particularly with the WP6 host and guests in the bCD/HbCD datasets. A submission template file was made available for participants to fill in with all needed information and instructions. We required participants to follow the submission templates since we would use automated scripts to parse and run statistical analysis. Each submission required the following: predictions, participant name(s), participant organization(s), name of their method, list of software used, detailed method description, method category, and a ranked or non-ranked classification.