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The first annual D3R workshop (March 9-11, 2016 at UC San Diego) brought together researchers from all levels of the computer-aided drug design, structural biology, and computational chemistry communities. There were two full days of presentations and discussion on the outcomes of Grand Challenge 2015 and SAMPL5, and the forthcoming Continuous Evaluation of Ligand-Protein Predictions (CELPP). In addition, there were breakout sessions and an all-participant discussion of strategies and directions for this community-focused effort.