AMS EIP Faculty Candidate Seminar - Debswapna Bhattacharya
Debswapna Bhattacharya
Associate Professor
Department of Computer Science
Virginia Tech
February 13, 2026 at 2:00 PM
Location: NCS 120
Title: Artificial Intelligence for Biomolecular Modeling with Large Language Models and Generative Deep Learning
Abstract: Building a model of a biological system that can provide actionable hypotheses to form a solid foundation for experimental and theoretical analyses is one of the key challenges in biology and medicine. In this talk, I will present my group’s ongoing work in developing, evaluating, and disseminating a new generation of computational methods for biomolecular modeling powered by artificial intelligence (AI) and machine learning (ML). First, I will introduce a new generation of AI/ML methods for improved modeling and characterization of protein-nucleic acid assemblies by deep graph learning using embeddings from biological large language models (LLMs) as well as geometric attention-enabled pairing of heterogeneous biological LLMs, a previously unexplored avenue. Then, I will present a novel generative deep learning model based on equivariant flow matching for end-to-end generation of all-atom RNA 3D structural ensemble. Finally, I will outline my future research directions on attaining atomic-level accuracy in computational modeling of biomolecules and their assemblies at scale.
