In addition to the formal predictions, one member of our team (MA) conducted a set of blind reference calculations which were submitted informally in the non-ranked category. Data collection for TrimerTrip and its 16 guests (Figure ) of this challenge was completed around August of 2019 and a challenge submission deadline of October 4, 2019 was set to avoid delaying the experimental publication. The GDCC dataset was finalized on May 25, 2019 and its submission deadline, along with that for the Cyclodextrin derivative challenge, was set to November 4, 2019. Submissions for OA with g1-g6 (Figure ) guests were optional (and not part of rankings) since these have been reported in previous challenges and literature values are available. In addition, submitting binding enthalpies for GDCC predictions were optional. Similarly, for the Cyclodextrin derivatives dataset, predictions for g1 and g2 binding to -cyclodextrin (Figure ) were optional since literature values for these compounds are available.