Head of Computational Drug Design, Cambridge, MA

Isomorphic Labs is seeking an experienced and strategic Head of Computational Drug Design to join their foundational Drug Design team in Cambridge, MA. The role requires a unique blend of deep scientific expertise and the ability to lead both technical projects and high-performing teams. The successful candidate will provide scientific leadership and strategic direction for the Computational Drug Design team, responsible for delivery and guidance of projects to clinical candidate nomination.

Requirements

• PhD in Computational Chemistry, Medicinal Chemistry, Synthetic Chemistry, or a related scientific field, or equivalent industrial experience.
• Solid foundation in computational chemistry with a minimum of 10+ years previous industrial experience within a pharma/biotech/CRO setting.
• Proven experience leading computational chemistry strategy and execution for multiple drug discovery programs and target classes, and managing high-performing scientific teams.
• Prior experience of leading drug discovery programs, from hit finding to lead optimisation and candidate selection.
• Strong expertise in virtual screening, ligand and structure-based drug design using physics-based and ideally AI/ML methods.
• Proven track record of developing models using ML or deep learning methods.
• Expertise in writing and implementing Python scripts for analysis and tool development, and/or utilising pipelining tools to support cheminformatics and design workflows.
• Genuine passion and enthusiasm for applying AI/ML to drug design and how this can transform the field.
• Demonstrated success managing external collaborations (industry/CROs) and working effectively in cross-functional environments.
• Growth mindset, adaptability, and eagerness to learn new concepts and techniques.

Benefits

• Generous Paid Time Off
• 401k Matching
• Retirement Plan
• Visa Sponsorship
• Four Day Work Week
• Generous Parental Leave
• Tuition Reimbursement
• Relocation Assistance