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Despite an explosion in the number of experimentally determined, atomically detailed structures of biomolecules, many critical tasks in structural biology remain data-limited.
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“TopologyNet: Topology based deep convolutional neural networks for biomolecular property predictions”, 2017
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“Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity”, 2017
Joseph Gomes, Bharath Ramsundar, Evan Feinberg and Vijay Pande · 2017
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