1.7k citations · 2k across the 7 of their papers we have counts for
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cond-mat.mtrl-sci2020★ 2 cited
Dataset of Random Relaxations for Crystal Structure Search of Li-Si System
Gowoon Cheon, Lusann Yang, Kevin McCloskey +2
Crystal structure search is a long-standing challenge in materials design. We present a dataset of more than 100,000 structural relaxations of potential battery anode materials fro…
q-bio.QM2020★ 167 cited
Machine learning on DNA-encoded libraries: A new paradigm for hit-finding
Kevin McCloskey, Eric A. Sigel, Steven Kearnes +16
DNA-encoded small molecule libraries (DELs) have enabled discovery of novel inhibitors for many distinct protein targets of therapeutic value through screening of libraries with up…