Maksim Kuznetsov

Deep learning enables rapid identification of potent DDR1 kinase inhibitors

Alán Aspuru-Guzik, A. Aliper, A. Zhavoronkov, 2019, Nature Biotechnology.

Subset-Conditioned Generation Using Variational Autoencoder With A Learnable Tensor-Train Induced Prior

D. Vetrov, Daniil Polykovskiy, Maksim Kuznetsov, 2018 .

Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

Maksim Kuznetsov, Rim Shayakhmetov, Alexander Zhebrak, 2020, Frontiers in Pharmacology.

A Prior of a Googol Gaussians: a Tensor Ring Induced Prior for Generative Models

Dmitry Vetrov, Alexander Zhebrak, Daniil Polykovskiy, 2019, NeurIPS.

MolGrow: A Graph Normalizing Flow for Hierarchical Molecular Generation

Daniil Polykovskiy, Maksim Kuznetsov, Daniil Polykovskiy, 2021, AAAI.

COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial Framework.

Daniil Polykovskiy, Maksim Kuznetsov, Shayakhmetov Rim, 2024, Journal of chemical information and modeling.

BindGPT: A Scalable Framework for 3D Molecular Design via Language Modeling and Reinforcement Learning

Sarath Chandar, Daniil Polykovskiy, Maksim Kuznetsov, 2024, ArXiv.