Wei team’s performance in D3R Grand Challenges 2, 3 and 428,29, community-wide competition series in computer-aided drug design, with components addressing blind predictions of pose-prediction, affinity ranking, and binding free energy. The golden medal, silver medal, and bronze medal label the contest where our prediction was ranked 1st, 2nd, and 3rd, respectively. The numbers (a∕b) right beside each medal, say gold medal, implies we have a predictions were ranked 1st and there was a total of b submissions sharing the first position. “No Participation” is placed in the contests that we unintendedly did not participate due to the inconsistent announcement from the D3R organizer.