ELLIS Units Cambridge & Linz: Program "Machine Learning for Molecule Discovery" Workshop

Discovering new molecules with desired functions or activities is crucial for human well-being by providing new medicines, securing the world’s food supply via agrochemicals, or enabling a sustainable energy conversion and storage to counter or mitigate climate change. However, the discovery of new molecules or molecular materials that are optimized for a particular purpose can often take up to a decade and is highly cost-intensive. Machine-learning (ML) methods can accelerate molecular discovery, which is of considerable importance generally, but especially in light of the COVID-19 crisis and future pandemics. To reach this goal of speeding up the discovery of new functional molecules, it is necessary to establish a dialogue between domain experts and ML researchers to ensure that ML positively impacts real world scenarios.

The workshop will be hosted by the ELLIS Unit Cambridge and ELLIS Unit Linz as a side-event to NeurIPS2021.