Generative Models for Automatic Chemical Design

2 July 2019

Papers citing "Generative Models for Automatic Chemical Design"

8 / 8 papers shown

Title
Physics Guided Deep Learning for Generative Design of Crystal Materials with Symmetry Constraints Yong Zhao Edirisuriya M Dilanga Siriwardane Zhenyao Wu Nihang Fu Mohammed Al-Fahdi Ming Hu Jianjun Hu AI4CE 15 67 0 27 Mar 2022
Autonomous discovery in the chemical sciences part II: Outlook Connor W. Coley Natalie S. Eyke K. Jensen 10 171 0 30 Mar 2020
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 151 628 0 29 Nov 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 138 182 0 30 Apr 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 208 1,205 0 12 Feb 2018
Constrained Bayesian Optimization for Automatic Chemical Design Ryan-Rhys Griffiths José Miguel Hernández-Lobato BDL 28 75 0 16 Sep 2017
Conditional Image Synthesis With Auxiliary Classifier GANs Augustus Odena C. Olah Jonathon Shlens GAN 224 3,174 0 30 Oct 2016
Pixel Recurrent Neural Networks Aaron van den Oord Nal Kalchbrenner Koray Kavukcuoglu SSeg GAN 219 2,391 0 25 Jan 2016