Segler, Marwin

14 publications

ICLR 2025 SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints Miruna Cretu, Charles Harris, Ilia Igashov, Arne Schneuing, Marwin Segler, Bruno Correia, Julien Roy, Emmanuel Bengio, Pietro Lio

ICLRW 2024 Re-Evaluating Retrosynthesis Algorithms with Syntheseus Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin Segler

ICLR 2024 Retro-Fallback: Retrosynthetic Planning in an Uncertain World Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Marwin Segler, José Miguel Hernández-Lobato

ICLR 2024 RetroBridge: Modeling Retrosynthesis with Markov Bridges Ilia Igashov, Arne Schneuing, Marwin Segler, Michael M. Bronstein, Bruno Correia

ICLRW 2024 RetroGFN: Diverse and Feasible Retrosynthesis Using GFlowNets Piotr Gaiński, Michał Koziarski, Krzysztof Maziarz, Marwin Segler, Jacek Tabor, Marek Śmieja

NeurIPSW 2023 Re-Evaluating Retrosynthesis Algorithms with Syntheseus Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin Segler

NeurIPSW 2023 Retro-Fallback: Retrosynthetic Planning in an Uncertain World Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Marwin Segler, José Miguel Hernández-Lobato

NeurIPSW 2023 RetroBridge: Modeling Retrosynthesis with Markov Bridges Ilia Igashov, Arne Schneuing, Marwin Segler, Michael M. Bronstein, Bruno Correia

NeurIPSW 2023 RetroBridge: Modeling Retrosynthesis with Markov Bridges Ilia Igashov, Arne Schneuing, Marwin Segler, Michael M. Bronstein, Bruno Correia

ICML 2023 Retrosynthetic Planning with Dual Value Networks Guoqing Liu, Di Xue, Shufang Xie, Yingce Xia, Austin Tripp, Krzysztof Maziarz, Marwin Segler, Tao Qin, Zongzhang Zhang, Tie-Yan Liu

ICLR 2022 Learning to Extend Molecular Scaffolds with Structural Motifs Krzysztof Maziarz, Henry Richard Jackson-Flux, Pashmina Cameron, Finton Sirockin, Nadine Schneider, Nikolaus Stiefl, Marwin Segler, Marc Brockschmidt

NeurIPSW 2022 Re-Evaluating Chemical Synthesis Planning Algorithms Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Guoqing Liu, Marwin Segler

NeurIPS 2020 Barking up the Right Tree: An Approach to Search over Molecule Synthesis DAGs John Bradshaw, Brooks Paige, Matt J Kusner, Marwin Segler, José Miguel Hernández-Lobato

NeurIPS 2019 A Model to Search for Synthesizable Molecules John Bradshaw, Brooks Paige, Matt J Kusner, Marwin Segler, José Miguel Hernández-Lobato