Simm, Gregor N. C.

4 publications

ICLR 2023 Flow Annealed Importance Sampling Bootstrap Laurence Illing Midgley, Vincent Stimper, Gregor N. C. Simm, Bernhard Schölkopf, José Miguel Hernández-Lobato

NeurIPSW 2022 Flow Annealed Importance Sampling Bootstrap Laurence Illing Midgley, Vincent Stimper, Gregor N. C. Simm, Bernhard Schölkopf, José Miguel Hernández-Lobato

NeurIPSW 2021 A Fresh Look at De Novo Molecular Design Benchmarks Austin Tripp, Gregor N. C. Simm, José Miguel Hernández-Lobato

ICLR 2021 Symmetry-Aware Actor-Critic for 3D Molecular Design Gregor N. C. Simm, Robert Pinsler, Gábor Csányi, José Miguel Hernández-Lobato