Research Leader / Senior Research Investigator (Computational Drug Design), London at Isomorphic Labs

The role

Isomorphic Labs is seeking a Computational Chemist to apply frontier AI and machine learning to accelerate drug discovery and solve complex biological challenges. You will work within an interdisciplinary team to provide scientific expertise and strategic direction for portfolio projects from initiation to clinical candidate selection.

What you'll do

• Execute AI-first drug design programs as a Program or Computational Chemistry Lead.
• Collaborate cross-functionally to deliver high quality scientific solutions to technical problems.
• Integrate cutting-edge AI and machine learning into modern computational chemistry workflows.
• Provide strategic input and technical direction to machine learning platform teams.
• Identify and validate therapeutic targets for early-stage portfolio projects.
• Manage external collaborations with CROs and lead programs to critical milestones.

What you'll bring

• PhD in Computational Chemistry or a related scientific field.
• Minimum of five to eight years of professional experience in drug design.
• Proven track record of leading computational chemistry efforts in drug discovery.
• Proficiency in Python scripting for analysis and tool development.
• Experience leveraging machine learning and generative AI for molecular design.

Your impact

You will play a critical role in enhancing the company's AI platform and applying these improvements to drug design projects to achieve breakthroughs in digital biology. Your work will directly contribute to the mission of solving devastating diseases by accelerating the path from hit identification to clinical candidate nomination.