Enhancing Model Generalizability through Chemistry-Aware Validation

Today we’re joined by Bharath Ramsundar, founder and CEO of Deep Forest Sciences. In our conversation with Bharath, we explore his work on the DeepChem, an open-source library for drug discovery, materials science, quantum chemistry, and biology tools. We discuss the challenges that biotech and pharmaceutical companies are facing as they attempt to incorporate AI into the drug discovery process, where the innovation frontier is, and what the promise is for AI in this field in the near term. We also dig into the origins of DeepChem and the problems it's solving for practitioners, the capabilities that are enabled when using this library as opposed to others, and MoleculeNET, a dataset and benchmark focused on molecular design that lives within the DeepChem suite.

The complete show notes for this episode can be found at twimlai.com/go/566