6 citations · 6 across the 2 of their papers we have counts for
3 papers · 1 filter
Do Language Models Dream of Binding Molecules? Benchmarking LLMs under Spatial Constraints
Thomas MacDougall, Maksim Kuznetsov, Roman Schutski +5
Structure-based drug design (SBDD) leverages the 3D structure of protein targets, often complemented by other spatial constraints, to generate candidate binding molecules. While di…
nach0-pc: Multi-task Language Model with Molecular Point Cloud Encoder
Maksim Kuznetsov, Airat Valiev, Alex Aliper +4
Recent advancements have integrated Language Models (LMs) into a drug discovery pipeline. However, existing models mostly work with SMILES and SELFIES chemical string representatio…
A Prior of a Googol Gaussians: a Tensor Ring Induced Prior for Generative Models
Maksim Kuznetsov, Daniil Polykovskiy, Dmitry Vetrov +1
Generative models produce realistic objects in many domains, including text, image, video, and audio synthesis. Most popular models---Generative Adversarial Networks (GANs) and Var…