Igashov, Ilia

13 publications

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

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

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

LoG 2023 The Second Learning on Graphs Conference: Preface Soledad Villar, Benjamin Chamberlain, Yuanqi Du, Hannes St"ark, Chaitanya K. Joshi, Andreea Deac, Iulia Duta, Joshua Robinson, Yanqiao Zhu, Kexin Huang, Michelle Li, Sofia Bourhim, Ilia Igashov, Alexandre Duval, Mathieu Alain, Dominique Beaini, Xinyu Yuan

AAAI 2022 6DCNN with Roto-Translational Convolution Filters for Volumetric Data Processing Dmitrii Zhemchuzhnikov, Ilia Igashov, Sergei Grudinin

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

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

LoG 2022 The First Learning on Graphs Conference: Preface Bastian Rieck, Razvan Pascanu, Yuanqi Du, Hannes Stärk, Derek Lim, Chaitanya K. Joshi, Andreea Deac, Iulia Duta, Joshua Robinson, Gabriele Corso, Leonardo Cotta, Yanqiao Zhu, Kexin Huang, Michelle Li, Sofia Bourhim, Ilia Igashov