Augmented Memory: Capitalizing on Experience Replay to Accelerate De Novo Molecular Design

10 May 2023

Papers citing "Augmented Memory: Capitalizing on Experience Replay to Accelerate De Novo Molecular Design"

6 / 6 papers shown

Title
Small Molecule Optimization with Large Language Models Philipp Guevorguian Menua Bedrosian Tigran Fahradyan Gayane Chilingaryan Hrant Khachatrian Armen Aghajanyan 32 1 0 26 Jul 2024
Efficient Evolutionary Search Over Chemical Space with Large Language Models Haorui Wang Marta Skreta C. Ser Wenhao Gao Lingkai Kong ... Yanqiao Zhu Yuanqi Du Alán Aspuru-Guzik Kirill Neklyudov Chao Zhang 39 12 0 23 Jun 2024
Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES E. Bjerrum Christian Margreitter Thomas Blaschke Raquel Lopez-Rios de Castro 32 11 0 22 Oct 2022
Keeping it Simple: Language Models can learn Complex Molecular Distributions Daniel Flam-Shepherd Kevin Zhu A. Aspuru‐Guzik 129 142 0 06 Dec 2021
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 176 633 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 200 885 0 07 Jun 2018