ATOM3D: Tasks On Molecules in Three Dimensions
Abstract
While a variety of methods have been developed for predicting molecular properties, deep learning networks that operate directly on three-dimensional molecular structure have recently demonstrated particular promise. In this work we present ATOM3D, a collection of both novel and existing datasets spanning several key classes of biomolecules, to systematically assess such learning methods. We develop three-dimensional molecular learning networks...
Paper Details
Title
ATOM3D: Tasks On Molecules in Three Dimensions
Published Date
May 4, 2021
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