Augmenting Genetic Algorithms with Deep Neural Networks for Exploring
the Chemical Space

Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space

25 September 2019

AkshatKumar Nigam

Pascal Friederich

Alán Aspuru-Guzik

Papers citing "Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space"

15 / 65 papers shown

Title
A reproducibility study of "Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space" K. Jablonka Fergus Mcilwaine S. Garcia B. Smit Brian Yoo 12 3 0 01 Feb 2021
Advances in Electron Microscopy with Deep Learning Jeffrey M. Ede 32 2 0 04 Jan 2021
Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning Luca Thiede Mario Krenn AkshatKumar Nigam Alán Aspuru-Guzik 19 30 0 17 Dec 2020
Deep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations Cynthia X Shen Mario Krenn S. Eppel Alán Aspuru-Guzik 13 43 0 17 Dec 2020
A Deep Generative Model for Molecule Optimization via One Fragment Modification Ziqi Chen Martin Renqiang Min S. Parthasarathy Xia Ning 21 61 0 08 Dec 2020
Optimizing Molecules using Efficient Queries from Property Evaluations Samuel C. Hoffman Vijil Chenthamarakshan Kahini Wadhawan Pin-Yu Chen Payel Das 37 68 0 03 Nov 2020
MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization Tianfan Fu Cao Xiao Xinhao Li Lucas Glass Jimeng Sun 19 75 0 05 Oct 2020
Review: Deep Learning in Electron Microscopy Jeffrey M. Ede 31 79 0 17 Sep 2020
Guiding Deep Molecular Optimization with Genetic Exploration Sungsoo Ahn Junsup Kim Hankook Lee Jinwoo Shin 29 70 0 04 Jul 2020
Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates Tim Cofala Lars Elend Philip Mirbach J. Prellberg Thomas Teusch Oliver Kramer 22 6 0 06 May 2020
Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning S. Gottipati B. Sattarov Sufeng Niu Yashaswi Pathak Haoran Wei ... Simon R. Blackburn Connor W. Coley Jian Tang Sarath Chandar Yoshua Bengio 6 108 0 26 Apr 2020
Computer-inspired Quantum Experiments Mario Krenn Manuel Erhard A. Zeilinger 19 73 0 23 Feb 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 194 633 0 29 Nov 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 203 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,338 0 12 Feb 2018