Plainer, Michael

10 publications

NeurIPS 2025 Consistent Sampling and Simulation: Molecular Dynamics with Energy-Based Diffusion Models Michael Plainer, Hao Wu, Leon Klein, Stephan Günnemann, Frank Noe

ICLRW 2025 Scaling Deep Learning Solutions for Transition Path Sampling Jungyoon Lee, Michael Plainer, Yuanqi Du, Lars Holdijk, Rob Brekelmans, Dominique Beaini, Kirill Neklyudov

ICLRW 2025 Scaling Deep Learning Solutions for Transition Path Sampling Jungyoon Lee, Michael Plainer, Yuanqi Du, Lars Holdijk, Rob Brekelmans, Carla P Gomes, Dominique Beaini, Kirill Neklyudov

NeurIPS 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

ICMLW 2024 Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling Yuanqi Du, Michael Plainer, Rob Brekelmans, Chenru Duan, Frank Noe, Carla P Gomes, Alan Aspuru-Guzik, Kirill Neklyudov

ICMLW 2024 Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling Yuanqi Du, Michael Plainer, Rob Brekelmans, Chenru Duan, Frank Noe, Carla P Gomes, Alan Aspuru-Guzik, Kirill Neklyudov

ICMLW 2024 Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling Yuanqi Du, Michael Plainer, Rob Brekelmans, Chenru Duan, Frank Noe, Carla P Gomes, Alan Aspuru-Guzik, Kirill Neklyudov

NeurIPSW 2023 DiffDock-Pocket: Diffusion for Pocket-Level Docking with Sidechain Flexibility Michael Plainer, Marcella Toth, Simon Dobers, Hannes Stark, Gabriele Corso, Céline Marquet, Regina Barzilay

NeurIPSW 2023 Transition Path Sampling with Boltzmann Generator-Based MCMC Moves Michael Plainer, Hannes Stark, Charlotte Bunne, Stephan Günnemann

NeurIPSW 2023 Transition Path Sampling with Boltzmann Generator-Based MCMC Moves Michael Plainer, Hannes Stark, Charlotte Bunne, Stephan Günnemann