RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets

RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets

26 June 2024

Michał Koziarski

Krzysztof Maziarz

Marwin H. S. Segler

Marek Śmieja

Papers citing "RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets"

8 / 8 papers shown

Title
Cell Morphology-Guided Small Molecule Generation with GFlowNets Stephen Zhewen Lu Ziqing Lu Ehsan Hajiramezanali Tommaso Biancalani Yoshua Bengio Gabriele Scalia Michał Koziarski 32 2 0 09 Aug 2024
RGFN: Synthesizable Molecular Generation Using GFlowNets Michal Koziarski Andrei Rekesh Dmytro Shevchuk A. V. D. Sloot Piotr Gaiñski Yoshua Bengio Cheng-Hao Liu Mike Tyers Robert A. Batey 35 13 0 01 Jun 2024
Re-evaluating Retrosynthesis Algorithms with Syntheseus Krzysztof Maziarz Austin Tripp Guoqing Liu Megan Stanley Shufang Xie Piotr Gaiñski Philipp Seidl Marwin H. S. Segler ELM 19 12 0 30 Oct 2023
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 132 18 0 07 Oct 2023
GFlowNets and variational inference Nikolay Malkin Salem Lahlou T. Deleu Xu Ji J. E. Hu Katie Everett Dinghuai Zhang Yoshua Bengio BDL 127 77 0 02 Oct 2022
Trajectory balance: Improved credit assignment in GFlowNets Nikolay Malkin Moksh Jain Emmanuel Bengio Chen Sun Yoshua Bengio 142 165 0 31 Jan 2022
Graph Neural Networks with Learnable Structural and Positional Representations Vijay Prakash Dwivedi A. Luu T. Laurent Yoshua Bengio Xavier Bresson GNN 179 304 0 15 Oct 2021
Relative Molecule Self-Attention Transformer Lukasz Maziarka Dawid Majchrowski Tomasz Danel Piotr Gaiñski Jacek Tabor Igor T. Podolak Pawel M. Morkisz Stanislaw Jastrzebski MedIm 32 33 0 12 Oct 2021