Correia, Bruno

19 publications

ICLR 2025 AtomSurf: Surface Representation for Learning on Protein Structures Vincent Mallet, Yangyang Miao, Souhaib Attaiki, Bruno Correia, Maks Ovsjanikov

ICML 2025 Boosting Protein Graph Representations Through Static-Dynamic Fusion Pengkang Guo, Bruno Correia, Pierre Vandergheynst, Daniel Probst

ICLRW 2025 Boosting Protein Graph Representations Through Static-Dynamic Fusion Pengkang Guo, Bruno Correia, Pierre Vandergheynst, Daniel Probst

ICLRW 2025 Flow-Based Fragment Identification via Contrastive Learning of Binding Site-Specific Latent Representations Rebecca Manuela Neeser, Ilia Igashov, Arne Schneuing, Michael M. Bronstein, Philippe Schwaller, Bruno Correia

ICLRW 2025 Large Drug Discovery Model Ilia Igashov, Arne Schneuing, Adrian W. Dobbelstein, Irina Morozova, Rebecca Manuela Neeser, Evgenia Elizarova, Philippe Schwaller, Michael M. Bronstein, Bruno Correia

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 SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints Miruna Cretu, Charles Harris, Ilia Igashov, Arne Schneuing, Marwin Segler, Bruno Correia, Julien Roy, Emmanuel Bengio, Pietro Lio

ICLRW 2024 DiffTopo: Fold Exploration Using Coarse Grained Protein Topology Representations Yangyang Miao, Bruno Correia

ICLR 2024 RetroBridge: Modeling Retrosynthesis with Markov Bridges Ilia Igashov, Arne Schneuing, Marwin Segler, Michael M. Bronstein, Bruno Correia

ICLRW 2024 Towards Structure-Based Drug Design with Protein Flexibility Arne Schneuing, Ilia Igashov, Thomas Castiglione, Michael M. Bronstein, Bruno Correia

ICMLW 2023 Evaluation Metrics for Protein Structure Generation Joshua Southern, Arne Schneuing, Michael M. Bronstein, Bruno Correia

NeurIPSW 2023 FSscore: A Machine Learning-Based Synthetic Feasibility Score Leveraging Human Expertise Rebecca Manuela Neeser, Bruno Correia, Philippe Schwaller

ICLRW 2023 Flexible Small-Molecule Design and Optimization with Equivariant Diffusion Models Charles Harris, Kieran Didi, Arne Schneuing, Yuanqi Du, Arian Rokkum Jamasb, Michael M. Bronstein, Bruno Correia, Pietro Lio, Tom Leon Blundell

NeurIPSW 2023 RetroBridge: Modeling Retrosynthesis with Markov Bridges Ilia Igashov, Arne Schneuing, Marwin Segler, Michael M. Bronstein, Bruno Correia

NeurIPSW 2023 RetroBridge: Modeling Retrosynthesis with Markov Bridges Ilia Igashov, Arne Schneuing, Marwin Segler, Michael M. Bronstein, Bruno Correia

ICLRW 2022 Decoding Surface Fingerprints for Protein-Ligand Interactions Ilia Igashov, Arian Rokkum Jamasb, Ahmed Sadek, Freyr Sverrisson, Arne Schneuing, Tom Blundell, Pietro Lio, Michael M. Bronstein, Bruno Correia

ICLRW 2022 Deep Sharpening of Topological Features for De Novo Protein Design Zander Harteveld, Joshua Southern, Michaël Defferrard, Andreas Loukas, Pierre Vandergheynst, Micheal Bronstein, Bruno Correia

NeurIPSW 2022 Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design Ilia Igashov, Hannes Stärk, Clement Vignac, Victor Garcia Satorras, Pascal Frossard, Max Welling, Michael M. Bronstein, Bruno Correia

ICLRW 2022 Physics-Informed Deep Neural Network for Rigid-Body Protein Docking Freyr Sverrisson, Jean Feydy, Joshua Southern, Michael M. Bronstein, Bruno Correia