Marwin Segler

9PUBLICATIONS
56CO-AUTHORS
Computational chemistrySemi- and unsupervised learningBiomolecular modelling and designReaction engineering (excl. nuclear reactions)Context learning
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Publications (9)

|Sep 21, 2026
Chemist-aligned retrosynthesis by ensembling diverse inductive bias models.

|Apr 28, 2025
Challenging Reaction Prediction Models to Generalize to Novel Chemistry.

John Bradshaw, Anji Zhang, Babak Mahjour

|Nov 01, 2024
Re-evaluating retrosynthesis algorithms with Syntheseus.

Krzysztof Maziarz, Austin Tripp, Guoqing Liu

|Jul 24, 2023
PREFER: A New Predictive Modeling Framework for Molecular Discovery.

Jessica Lanini, Gianluca Santarossa, Finton Sirockin

|Apr 22, 2022
RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis Software.

Cheng-Hao Liu, Maksym Korablyov, Stanisław Jastrzębski

|Jan 17, 2022
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks.

Philipp Seidl, Philipp Renz, Natalia Dyubankova

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Frequent Collaborators

1 joint publications

Travers Ching

1 joint publications

Daniel S Himmelstein

1 joint publications

Brett K Beaulieu-Jones

1 joint publications

Alexandr A Kalinin