RetroBridge: Modeling Retrosynthesis with Markov Bridges

RetroBridge: Modeling Retrosynthesis with Markov Bridges

30 August 2023

Marwin H. S. Segler

Michael M. Bronstein

Papers citing "RetroBridge: Modeling Retrosynthesis with Markov Bridges"

9 / 9 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
How Discrete and Continuous Diffusion Meet: Comprehensive Analysis of Discrete Diffusion Models via a Stochastic Integral Framework Yinuo Ren Haoxuan Chen Grant M. Rotskoff Lexing Ying 47 3 0 04 Oct 2024
RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets Piotr Gaiñski Michał Koziarski Krzysztof Maziarz Marwin H. S. Segler Jacek Tabor Marek Śmieja 49 3 0 26 Jun 2024
Cometh: A continuous-time discrete-state graph diffusion model Antoine Siraudin Fragkiskos D. Malliaros Christopher Morris 36 3 0 10 Jun 2024
Stochastic Interpolants: A Unifying Framework for Flows and Diffusions M. S. Albergo Nicholas M. Boffi Eric Vanden-Eijnden DiffM 248 262 0 15 Mar 2023
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Gabriele Corso Hannes Stärk Bowen Jing Regina Barzilay Tommi Jaakkola DiffM 139 410 0 04 Oct 2022
Likelihood Training of Schrödinger Bridge using Forward-Backward SDEs Theory T. Chen Guan-Horng Liu Evangelos A. Theodorou DiffM OT 174 163 0 21 Oct 2021
Beyond In-Place Corruption: Insertion and Deletion In Denoising Probabilistic Models Daniel D. Johnson Jacob Austin Rianne van den Berg Daniel Tarlow DiffM 178 18 0 16 Jul 2021
Argmax Flows and Multinomial Diffusion: Learning Categorical Distributions Emiel Hoogeboom Didrik Nielsen P. Jaini Patrick Forré Max Welling DiffM 207 394 0 10 Feb 2021