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Patrick Riley

Decoding Molecular Graph Embeddings with Reinforcement Learning

Apr 18, 2019
Steven Kearnes, Li Li, Patrick Riley

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* Preliminary work. Under review at the ICML 2019 Workshop on Learning and Reasoning with Graph-Structured Data. Copyright 2019 by the author(s)

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Optimization of Molecules via Deep Reinforcement Learning

Oct 23, 2018
Zhenpeng Zhou, Steven Kearnes, Li Li, Richard N. Zare, Patrick Riley

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* Adds Supporting Information

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Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds

May 18, 2018
Nathaniel Thomas, Tess Smidt, Steven Kearnes, Lusann Yang, Li Li, Kai Kohlhoff, Patrick Riley

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* changes for NIPS submission

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Molecular Graph Convolutions: Moving Beyond Fingerprints

Aug 18, 2016
Steven Kearnes, Kevin McCloskey, Marc Berndl, Vijay Pande, Patrick Riley

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* J Comput Aided Mol Des (2016)
* See "Version information" section

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