About the job
Role Overview
Isomorphic Labs is seeking a Director of Computational Drug Design to join its Cambridge, MA site. This leader will shape computational chemistry strategy for both internal research and collaborative projects. The position sits within the Drug Design and Medical Research division, working closely with AI and machine learning specialists to advance the company’s drug design engine and accelerate new medicine development.
About Isomorphic Labs
Founded in 2021, Isomorphic Labs (IsoLabs) builds on the AlphaFold system, applying advanced AI to solve complex problems in human health. The team combines drug discovery expertise with machine learning to create predictive and generative models that speed up scientific discovery. The company’s mission is to design novel molecules, predict drug performance, and develop new treatments for challenging diseases by modeling biological systems with AI.
Isomorphic Labs has developed an AI-driven drug design engine capable across various therapeutic areas and drug types. The organization continues to refine model architectures and expand capabilities, aiming to realize the promise of digital biology and ultimately eradicate disease through artificial intelligence.
About the Computational Drug Design Team
The Cambridge-based Computational Drug Design team brings together computational chemists focused on driving strategy, supporting both internal and partner projects. Close collaboration with AI/ML colleagues is central to the group’s work, ensuring the continued evolution of the Isomorphic Labs Drug Design Engine. The team values a supportive environment, ongoing learning, and professional development for every member.

