Research Leader - AI-Driven Drug Design (Hybrid)

Isomorphic Labs; Cambridge (MA); On-site; USD 180,000 - 240,000; Full time

Job summary

Isomorphic Labs is hiring a Research Leader / Senior Scientist (Computational Drug Design) in Cambridge, MA. You will guide AI-enhanced drug discovery, orchestrating projects across computational chemistry and ML teams while mentoring 2–3 scientists.

The role emphasizes strategic direction, collaboration with CROs, and advancing from hit-finding to candidate nomination in a fast-paced, inclusive culture. Ideal candidates bring a PhD or equivalent, 5+ years in computational drug design, strong

Qualifications

• PhD in Computational Chemistry or related field, or equivalent industrial experience.
• 5–8+ years in Computational Drug Design or equivalent in biotech/pharma/CRO.
• Proven leadership in computational chemistry projects across drug discovery.
• Strong Python scripting and tool development experience for cheminformatics.
• Clear passion for applying ML to transform drug discovery.

Responsibilities

• Provide scientific direction for drug discovery programs from initiation to candidate selection.
• Collaborate with ML, biology and chemistry teams to integrate AI into workflows.
• Lead or program-manage 2–3 chemists, mentoring growth and efficiency.
• Contribute to strategic proposals, reports, and external collaborations.
• Champion an inclusive, high-performance team culture and continuous learning.

Skills

Python scripting

Chemoinformatics workflows

Strategic thinking

Communication

Cross-functional collaboration

Education

PhD in Computational Chemistry or related field

Equivalent industrial experience

Tools

Pipelines tools

Python scripting

Job description

Isomorphic Labs is hiring a Research Leader / Senior Scientist (Computational Drug Design) in Cambridge, MA. You will guide AI-enhanced drug discovery, orchestrating projects across computational chemistry and ML teams while mentoring 2–3 scientists.

The role emphasizes strategic direction, collaboration with CROs, and advancing from hit-finding to candidate nomination in a fast-paced, inclusive culture. Ideal candidates bring a PhD or equivalent, 5+ years in computational drug design, strong