React-OT: Optimal Transport for Generating Transition State in Chemical
Reactions

React-OT: Optimal Transport for Generating Transition State in Chemical Reactions

20 April 2024

Evangelos A. Theodorou

Heather J. Kulik

Papers citing "React-OT: Optimal Transport for Generating Transition State in Chemical Reactions"

4 / 4 papers shown

Title
Transferable Learning of Reaction Pathways from Geometric Priors Juno Nam Miguel Steiner Max Misterka Soojung Yang Avni P. Singhal Rafael Gómez-Bombarelli 22 0 0 21 Apr 2025
Generalized Flow Matching for Transition Dynamics Modeling Haibo Wang Yuxuan Qiu Yanze Wang Rob Brekelmans Yuanqi Du 18 1 0 19 Oct 2024
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling Yuanqi Du Michael Plainer Rob Brekelmans Chenru Duan Frank Noé Carla P. Gomes Alán Aspuru-Guzik Kirill Neklyudov 26 9 0 10 Oct 2024
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Gabriele Corso Hannes Stärk Bowen Jing Regina Barzilay Tommi Jaakkola DiffM 130 399 0 04 Oct 2022