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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.

Details

Date:
March 1, 2023
Time:
10:30 - 11:30 CST
Event Category:

Venue

https://wordpress.cels.anl.gov/cels-seminars/event/lans-seminar-91/