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LANS Seminar
March 1, 2023 @ 10:30 - 11:30 CST
Seminar Title: Modeling Molecular Interactions with Machine Learning
Speaker: Hannes Stärk, PhD Student, MIT
Date/Time: March 1, 2023 / 10:30 AM – 11:30 AM
Location: See meeting URL on the cels-seminars website (requires Argonne login)
Host: Adrian Maldonado
Description: We first provide a high-level overview of different directions in modeling molecular interactions where deep learning methods have already had significant positive real-world impact. Then we focus on the particular task of predicting the structure in which a small molecule binds to a protein as a case study by investigating how we address it with our DiffDock method. DiffDock is a diffusion generative model for predicting binding structures — a fundamental task in structural biology — which we will discuss in greater detail.
Bio: Hannes Stärk is a first-year PhD student at MIT in the CS and AI Laboratory (CSAIL) co-advised by Tommi Jaakkola and Regina Barzilay. He works on geometric deep learning and physics-inspired ML and applications in molecular biology and other physical systems.
Please note that the meeting URL for this event can be seen on the cels-seminars website, which requires an Argonne login.