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.

Mission & Core Values

Our mission is to deliver better medicines through innovations in AI-based discovery technologies. We are committed to building an inclusive environment where a diverse group of talented humans work together to discover therapeutics and create technologies.

Pay and Benefits

We offer industry leading competitive pay, company paid healthcare, flexible spending accounts, voluntary life insurance, 401K matching, and uncapped vacation to our team. We are in a brand-new state-of-the art facility in beautiful San Diego with an onsite gym, dining, and easy access to great places to live and play.