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Hybrid density functional theory for -stacking interactions: Application to benzenes, pyridines, and DNA bases., , , , and . Journal of Computational Chemistry, 27 (4): 491-504 (2006)Towards "AlphaChem": Chemical Synthesis Planning with Tree Search and Deep Neural Network Policies., , and . CoRR, (2017)Towards "AlphaChem": Chemical Synthesis Planning with Tree Search and Deep Neural Network Policies., , and . ICLR (Workshop), OpenReview.net, (2017)Learning to Plan Chemical Syntheses., , and . CoRR, (2017)JACOB: An enterprise framework for computational chemistry., , and . Journal of Computational Chemistry, 34 (16): 1420-1428 (2013)Vibrational corrections to geometries of transition metal complexes from density functional theory., and . Journal of Computational Chemistry, 28 (9): 1531-1537 (2007)Yoink: An interaction-based partitioning API., and . Journal of Computational Chemistry, 39 (13): 799-806 (2018)JACOB: A Dynamic Database for Computational Chemistry Benchmarking., and . Journal of Chemical Information and Modeling, 52 (12): 3255-3262 (2012)Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks., , , and . CoRR, (2017)Revealing noncovalent interactions in quantum crystallography: Taurine revisited., and . Journal of Computational Chemistry, 34 (6): 466-470 (2013)