Predicted binding enthalpy, binding enthalpy SEM, and binding enthalpy model uncertainty were optional. All files, data, and instructions are made available on the SAMPL9 GitHub repository ( samplchallenges/SAMPL9/tree/main/host_guest/) under the relevant challenge dataset (WP6 or bCD (bCD and HbCD) ). All submission files are available in the SAMPL9 GitHub repository ( host_guest/Analysis/Submissions/) in the relevant host directory (WP6 or bCD (includes bCD and HbCD) ).