Introducing CNN-Based Mouse Grim Scale Analysis for Fully Automated Image-Based Assessment of Distress in Laboratory Mice. - Marcin Kopaczka; Lisa Ernst; Justus Schock; Arne Schneuing; Alexander Guth; René Tolba; Dorit Merhof (VCBM@MICCAI, 2018)

Structure-based Drug Design with Equivariant Diffusion Models. - Arne Schneuing; Yuanqi Du; Charles Harris; Arian R. Jamasb; Ilia Igashov; Weitao Du; Tom L. Blundell; Pietro Lió; Carla Gomes 001; Max Welling; Michael M. Bronstein; Bruno E. Correia (CoRR, 2022)

RetroBridge: Modeling Retrosynthesis with Markov Bridges. - Ilia Igashov; Arne Schneuing; Marwin H. S. Segler; Michael M. Bronstein; Bruno E. Correia (ICLR, 2024)

Equivariant 3D-conditional diffusion model for molecular linker design. - Ilia Igashov; Hannes Stärk; Clément Vignac; Arne Schneuing; Victor Garcia Satorras; Pascal Frossard; Max Welling; Michael M. Bronstein; Bruno E. Correia (Nat. Mac. Intell., 2024)

Structure-based drug design with equivariant diffusion models. - Arne Schneuing; Charles Harris; Yuanqi Du; Kieran Didi; Arian Rokkum Jamasb; Ilia Igashov; Weitao Du; Carla P. Gomes; Tom L. Blundell; Pietro Lio; Max Welling; Michael M. Bronstein; et al. (Nat. Comput. Sci., 2024)

SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints. - Miruna T. Cretu; Charles Harris; Ilia Igashov; Arne Schneuing; Marwin H. S. Segler; Bruno E. Correia; Julien Roy; Emmanuel Bengio; Pietro Lio (ICLR, 2025)

Multi-domain Distribution Learning for De Novo Drug Design. - Arne Schneuing; Ilia Igashov; Adrian W. Dobbelstein; Thomas Castiglione; Michael M. Bronstein; Bruno Correia (ICLR, 2025)