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 …

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 …

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