Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning

17 December 2020

Papers citing "Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning"

6 / 6 papers shown

Title
Curiosity Driven Exploration to Optimize Structure-Property Learning in Microscopy Aditya Vatsavai Ganesh Narasimha Yongtao Liu Jan-Chi Yang Hiroshu Funakubo M. Ziatdinov Rama K Vasudevan 19 0 0 28 Apr 2025
Global Reinforcement Learning: Beyond Linear and Convex Rewards via Submodular Semi-gradient Methods Ric De Santi Manish Prajapat Andreas Krause 36 3 0 13 Jul 2024
SELFIES and the future of molecular string representations Mario Krenn Qianxiang Ai Senja Barthel Nessa Carson Angelo Frei ... Andrew Wang Andrew D. White A. Young Rose Yu A. Aspuru‐Guzik 22 146 0 31 Mar 2022
Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation Soojung Yang Doyeong Hwang Seul Lee Seongok Ryu Sung Ju Hwang 22 67 0 04 Oct 2021
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 191 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,332 0 12 Feb 2018