Exploring Chemical Space with Score-based Out-of-distribution Generation

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Exploring Chemical Space with Score-based Out-of-distribution Generation

6 June 2022

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Papers citing "Exploring Chemical Space with Score-based Out-of-distribution Generation"

9 / 59 papers shown

Title
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 352 1,369 0 12 Feb 2018
UMAP: Uniform Manifold Approximation and Projection for Dimension Reduction Leland McInnes John Healy James Melville 192 9,460 0 09 Feb 2018
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models G. L. Guimaraes Benjamín Sánchez-Lengeling Carlos Outeiral Pedro Luis Cunha Farias Alán Aspuru-Guzik GAN 82 525 0 30 May 2017
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 128 1,016 0 25 Apr 2017
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 85 844 0 06 Mar 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 171 2,939 0 07 Oct 2016
Semi-Supervised Classification with Graph Convolutional Networks Thomas Kipf Max Welling GNN SSL 647 29,154 0 09 Sep 2016
Prioritized Experience Replay Tom Schaul John Quan Ioannis Antonoglou David Silver OffRL 223 3,797 0 18 Nov 2015
Adam: A Method for Stochastic Optimization Diederik P. Kingma Jimmy Ba ODL 2.0K 150,260 0 22 Dec 2014

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