Deep generative models for biomolecular engineering. In this talk, I will discuss the development of deep generative models for various molecular engineering tasks relevant to early-stage drug discovery. These include a model for synthesizability-constrained molecular generation, a reinforcement learning framework for molecular graph optimization, and recent applications from our group to the design of large modalities for targeted protein degradation.

Seminar by Tamas Stenczel on machine-learning accelerated ab-initio molecular dynamics

Special seminar by Dr. Janine George on automation and workflows in atomistic simulation.

This seminar will deal with machine-learning-based simulation of carbon materials.

Save the date! OCAMM presents a special seminar by Dr. Konstantinos Konstantinou from the University of Turku, who will talk about atomistic simulations of phase-change materials for aerospace applications. This invited seminar will take place at the Department of Chemistry and Materials Science, Aalto University on 1 November 2024 @ 13:15 in lecture hall D311 …

Special seminar by Dr. Konstantinos Konstantinou Read More »

This talk is part of the “AI and Machine Learning in Chemical Research and Industry” Seminar Series organized by the Aalto University School of Chemical Engineering. It is open to all members of the public. Registered students in course CHEM-E4190 can also obtain 1cr by attending the seminars and completing the assignments. Date and location …

AI in CHEM Seminar Series: Lab Automation for Scattering Analysis with Andy Anker Read More »