52 citations · 111 across the 8 of their papers we have counts for
Showing 2020 · cs.LGShow all
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cs.LG2020
ATOM3D: Tasks On Molecules in Three Dimensions
Raphael J. L. Townshend, Martin Vögele, Patricia Suriana +10
Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural net…
cs.LG2020★ 5 cited
Geometric Prediction: Moving Beyond Scalars
Raphael J. L. Townshend, Brent Townshend, Stephan Eismann +1
Many quantities we are interested in predicting are geometric tensors; we refer to this class of problems as geometric prediction. Attempts to perform geometric prediction in real-…