RGFN: Synthesizable Molecular Generation Using GFlowNets

RGFN: Synthesizable Molecular Generation Using GFlowNets

1 June 2024

Michal Koziarski

Dmytro Shevchuk

Robert A. Batey

Papers citing "RGFN: Synthesizable Molecular Generation Using GFlowNets"

10 / 10 papers shown

Title
LLM-Augmented Chemical Synthesis and Design Decision Programs Haorui Wang Jeff Guo Lingkai Kong R. Ramprasad Philippe Schwaller Yuanqi Du Chao Zhang 31 0 0 11 May 2025
Secrets of GFlowNets' Learning Behavior: A Theoretical Study Tianshu Yu 26 0 0 04 May 2025
Process-Supervised LLM Recommenders via Flow-guided Tuning Chongming Gao Mengyao Gao Chenxiao Fan Shuai Yuan Wentao Shi Xiangnan He 76 2 0 10 Mar 2025
Generative Flows on Synthetic Pathway for Drug Design Seonghwan Seo Minsu Kim Tony Shen Martin Ester Jinkyoo Park Sungsoo Ahn Woo Youn Kim 39 3 0 06 Oct 2024
RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets Piotr Gaiñski Michał Koziarski Krzysztof Maziarz Marwin H. S. Segler Jacek Tabor Marek Śmieja 46 3 0 26 Jun 2024
Trajectory balance: Improved credit assignment in GFlowNets Nikolay Malkin Moksh Jain Emmanuel Bengio Chen Sun Yoshua Bengio 145 166 0 31 Jan 2022
Machine learning on DNA-encoded libraries: A new paradigm for hit-finding Kevin McCloskey E. Sigel S. Kearnes L. Xue Xia Tian ... C. Hupp Anthony D. Keefe Christopher J. Mulhern Ying Zhang Patrick F. Riley 43 103 0 31 Jan 2020
Representation Learning on Graphs with Jumping Knowledge Networks Keyulu Xu Chengtao Li Yonglong Tian Tomohiro Sonobe Ken-ichi Kawarabayashi Stefanie Jegelka GNN 267 1,944 0 09 Jun 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 154 183 0 30 Apr 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,337 0 12 Feb 2018