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Ilia Igashov
Ilia Igashov
在 epfl.ch 的电子邮件经过验证 - 首页
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Equivariant 3D-conditional diffusion model for molecular linker design
I Igashov, H Stärk, C Vignac, A Schneuing, VG Satorras, P Frossard, ...
Nature Machine Intelligence, 1-11, 2024
882024
Structure-based drug design with equivariant diffusion models
A Schneuing, Y Du, C Harris, A Jamasb, I Igashov, W Du, T Blundell, P Lió, ...
arXiv preprint arXiv:2210.13695, 2022
832022
VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures
I Igashov, K Olechnovič, M Kadukova, Č Venclovas, S Grudinin
Bioinformatics 37 (16), 2332-2339, 2021
332021
Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment
A Kryshtafovych, J Moult, WM Billings, D Della Corte, K Fidelis, S Kwon, ...
Proteins: Structure, Function, and Bioinformatics 89 (12), 1987-1996, 2021
192021
A new age in protein design empowered by deep learning
H Khakzad, I Igashov, A Schneuing, C Goverde, M Bronstein, B Correia
Cell Systems 14 (11), 925-939, 2023
162023
Spherical convolutions on molecular graphs for protein model quality assessment
I Igashov, N Pavlichenko, S Grudinin
Machine Learning: Science and Technology 2 (4), 045005, 2021
152021
Retrobridge: Modeling retrosynthesis with markov bridges
I Igashov, A Schneuing, M Segler, M Bronstein, B Correia
arXiv preprint arXiv:2308.16212, 2023
72023
6DCNN with roto-translational convolution filters for volumetric data processing
D Zhemchuzhnikov, I Igashov, S Grudinin
Proceedings of the AAAI Conference on Artificial Intelligence 36 (4), 4707-4715, 2022
42022
Decoding surface fingerprints for protein-ligand interactions
I Igashov, AR Jamasb, A Sadek, F Sverrisson, A Schneuing, P Lio, ...
bioRxiv, 2022.04. 26.489341, 2022
42022
The Second Learning on Graphs Conference: Preface
S Villar, B Chamberlain, Y Du, H St, CK Joshi, A Deac, I Duta, J Robinson, ...
Learning on Graphs Conference, i-xix, 2024
2024
Flexible Structure-based Design of Small Molecules with Equivariant Diffusion Models
A Schneuing, Y Du, C Harris, K Didi, A Jamasb, I Igashov, W Du, ...
PROTEIN SCIENCE 32 (12), 2023
2023
The First Learning on Graphs Conference: Preface
B Rieck, R Pascanu, Y Du, H Stärk, D Lim, CK Joshi, A Deac, I Duta, ...
Learning on Graphs Conference, i-xxiii, 2022
2022
Towards Structure-based Drug Design with Protein Flexibility
A Schneuing, I Igashov, T Castiglione, MM Bronstein, B Correia
ICLR 2024 Workshop on Generative and Experimental Perspectives for …, 0
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