Principal / AD / Director, Agentic AI

JOB SUMMARY

Iambic Therapeutics is seeking an exceptional scientific and technology leader to to lead the design, build, and adoption of agentic AI workflows across small-molecule drug discovery programs - driving efficiency in both internal research and external partnerships. The role will also co-lead a cross-functional initiative to build the Iambic Lab of the Future: an integrated framework in which AI-driven molecular design, automated high-throughput experimental workflows, and real-time data acquisition operate as a unified system. This is a foundational leadership role at the intersection of AI, drug discovery, and experimental science. This will be a hybrid position, based out of our San Diego Headquarters.

KEY RESPONSIBILITIES

• Lead the technical roadmap and day-to-day execution for agentic AI workflows that accelerate small-molecule discovery across Iambic's internal pipeline and portfolio of external collaborations.

• Lead the design, build, and deployment of multi-step agentic systems that integrate ML-based molecular design (including through use of NeuralPLexer, Enchant and related systems) with automated decision-making loops for hypothesis generation, compound prioritization, and experimental triage.

• Drive efficiency gains in discovery collaborations, enabling the creation of sustainable and scalable business opportunities.

• Co-lead the creation of the Iambic Lab of the Future alongside experimental leaders, building a framework that tightly integrates AI molecular design with high-throughput experimental (HTE) platforms and automated data generation pipelines.

• Partner closely with Iambic's computational, experimental, and data engineering teams to ensure agentic systems are scientifically grounded, technically robust, and operationally adopted across discovery programs.

• Represent Iambic's agentic discovery capabilities externally at scientific conferences, in partnership discussions, and with academic collaborators - as a thought leader in AI-driven drug discovery.

• Work closely with senior leadership to develop agentic discovery strategy aligned Iambic's overall platform development, pipeline priorities, and business objectives.

• Develop and mentor a high-performing team, providing technical guidance and growth opportunities as the agentic AI group scales.

QUALIFICATIONS

• PhD in computational chemistry, machine learning, structural biology, chemical biology, or a closely related discipline; equivalent experience considered.

• 8+ years of experience in drug discovery, ML, or platform-building contexts.

• Demonstrated expertise in designing and deploying AI/ML workflows, ideally in a drug discovery or life sciences context.

• Experience with LLM-based agents, workflow orchestration frameworks, and integration of ML models into laboratory automation pipelines is strongly preferred.

• Deep familiarity with small-molecule drug discovery including structure-based design, ADMET, and multi-parameter optimization - combined with hands-on experience applying ML models (e.g., structure prediction, generative chemistry, property prediction) to real discovery programs.

• Proven track record of leading cross-functional scientific teams and delivering innovative computational or platform capabilities in a fast-paced biotech or pharmaceutical setting.

• Experience working within or alongside external research collaborations or partnerships, with an understanding of how to adapt workflows and tooling for multi-organizational research environments.

• Exceptional scientific communication skills; able to translate complex AI/ML concepts for experimental scientists, business development leaders, and external partners.

ABOUT IAMBIC THERAPEUTICS

MISSION & CORE VALUES

PAY AND BENEFITS