Head of Computational Drug Design, Cambridge, MA

Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease. The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.  Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture. The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.  About Iso Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed. Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases. We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design. Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.   About the Computational Drug Design Team We are building a dynamic team of Computational Chemists in Cambridge, MA within the Drug Design and Medical Research function. We drive the computational chemistry strategy for our internal portfolio and collaboration projects. Crucially, we partner closely with our AI/ML colleagues, using our domain expertise to augment the Isomorphic Labs Drug Design Engine and leverage its power to accelerate drug design. We foster a supportive, learning-focused environment where every member is valued, and continuous professional development is a priority.   Your Impact As part of our expansion to Cambridge, MA, we are seeking an experienced and strategic Head of Computational Drug Design to join our foundational Drug Design team. This is a pivotal role for a motivated scientific leader eager to shape the future of drug discovery at the intersection of computational chemistry and artificial intelligence. This role requires a unique blend of deep scientific expertise and the ability to lead both technical projects and high-performing teams, whilst contributing to or leading active drug discovery programs. You will provide scientific leadership and strategic direction for the Computational Drug Design team, responsible for delivery and guidance of projects to clinical candidate nomination. Additionally, you will oversee and mentor a team of talented Computational Drug Designers, fostering their scientific growth and career development. Working alongside world-leading AI Scientists, you will play a critical role in establishing principles for embedding AI/ML into modern computational chemistry workflows, ensuring seamless integration across ML, Biology, and Chemistry teams.  You will partner with our Head of Chemistry, Drug Design to champion the drug discovery pipeline, overseeing external collaborations (with CROs) and lead programs to deliver critical go/no-go milestones. Critical to this role will be the ability to build highly effective and efficient connectivity with Medicinal Chemistry, Biology and Pre-Clinical Development teams to accelerate pace to the clinic. If you are a skilled Computational Chemist with leadership experience and a passion for applying cutting-edge technology to complex scientific challenges, this role offers an unparalleled opportunity for impact and growth.   What you will do  Apply your knowledge and track record of modern drug design and discovery principles to deliver our Drug Design portfolio.  Provide direct line management for a growing team of Computational Chemists. Set clear goals, provide regular feedback, support their professional development, and foster a collaborative and high-performance team environment. Provide strategic input and technical direction to our AI/ML platform teams.  Collaborate both internally and with third party organisations, interacting within multidisciplinary teams, to support data-driven delivery of high quality scientific solutions to complex technical problems.  Represent the company externally,