Towards DNA-Encoded Library Generation with GFlowNets

Towards DNA-Encoded Library Generation with GFlowNets

15 April 2024

Michal Koziarski

Mohammed Abukalam

Louis Vaillancourt

Doris Alexandra Schuetz

Moksh Jain

Mathieu Bourgey

Papers citing "Towards DNA-Encoded Library Generation with GFlowNets"

5 / 5 papers shown

Title
RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets Piotr Gaiñski Michał Koziarski Krzysztof Maziarz Marwin H. S. Segler Jacek Tabor Marek Śmieja 44 3 0 26 Jun 2024
Crystal-GFN: sampling crystals with desirable properties and constraints Mila AI4Science Alex Hernandez-Garcia Alexandre Duval Alexandra Volokhova Yoshua Bengio Divya Sharma P. Carrier Yasmine Benabed Michal Koziarski Victor Schmidt 141 18 0 07 Oct 2023
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 41 103 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 261 1,944 0 09 Jun 2018