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Research Leader / Senior Scientist (Computational Drug Design), Cambridge, MA

Isomorphic Labs· DDMR
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Hybrid (Cambridge, MA)$0full-timePosted 1mo ago

About the role

Research Leader or Senior Scientist role at Isomorphic Labs focused on computational drug design, AI-enabled drug discovery, and leadership of multidisciplinary projects within a hybrid work model in Cambridge, MA.

Responsibilities

  • Apply AI-first approaches to provide technical and strategic directions, and execute drug design programs. Take ownership as either an overall Program Lead or Computational Chemistry Lead.
  • Collaborate cross-functionally to support the data-driven delivery of high quality scientific solutions to complex technical problems
  • Establish principles for embedding cutting-edge AI/ML into modern computational chemistry workflows, ensuring seamless integration across ML, Biology, and Chemistry teams.
  • Provide strategic input and technical direction to our ML platform teams.
  • If Program Leadership: Champion the drug discovery pipeline, overseeing external collaborations (with CROs) and leading programs to meet critical go/no-go milestones. Prepare detailed scientific proposals and reports to support new and ongoing programs.
  • Embrace and champion our culture of inclusion and continuous professional development.

Qualifications

  • PhD in Computational Chemistry, or a related scientific field, or equivalent industrial experience.
  • 8+ / 5+ years of professional experience in a Computational Drug Design role, operating within a biotech, pharma or CRO setting.
  • Proven track record of project leadership / leading computational chemistry efforts on drug discovery programs, demonstrating significant contributions to project progression (ideally from hit identification through to lead optimisation or candidate nomination).
  • Expertise in writing and implementing Python scripts for analysis and tool development, and/or utilising pipelining tools to support cheminformatics and design workflows.
  • A genuine passion for drug discovery and enthusiasm for the potential of ML to transform the field.
  • For a people / program management position: experience of leading a high-performing scientific team, mentoring and empowering them to thrive in their roles.
  • Strong track record of scientific achievements, evidenced by publications, patents, and presentations.
  • Excellent communication (written and verbal) and interpersonal skills, with an ability to work effectively in a cross-functional, collaborative team environment.
  • Track record of strategic thinking and creative problem solving with a strong growth mindset, adaptability, and eagerness to learn new concepts and techniques.

Skills

Required:PhD in Computational Chemistry or related fieldComputational Drug Design leadershipPython scripting for analysis/toolsML/AI integration in chemistry workflowsScientific communication
Nice to have:People leadership / mentorship
Last updated Sep 2, 2026. Interested? Apply on the company site.

About Isomorphic Labs

Reimagining Drug Discovery Process with AI

Isomorphic Labs is building a future where frontier AI can help to unlock deeper scientific insights, faster breakthroughs, and life-changing medicines.

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