Principal / AD / Director, Agentic AI

Iambic; San Diego (CA); Hybrid; USD 208,000 - 315,000; Full time

Benefits offered by this job

Competitive pay

Company paid healthcare

401K matching

Uncapped vacation

Job summary

Iambic Therapeutics, based in San Diego, seeks a scientific and technology leader to design, build, and adopt agentic AI workflows across small-molecule discovery. This hybrid role will co‑lead the Iambic Lab of the Future, integrating AI-driven molecular design with automated experiments and real‑time data acquisition.

This role will drive cross‑functional collaboration, guide strategy with senior leadership, and mentor a high‑performing team at the frontier of AI and drug discovery in a

Qualifications

• PhD in computational chemistry, ML, 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.
• Hands-on ML model experience (structure prediction, generative chemistry, property prediction) applied to discovery programs.
• Proven track record leading cross-functional scientific teams and delivering innovative computational capabilities in biotech/pharma.
• Experience with external research collaborations and multi-organizational environments.
• Exceptional scientific communication skills; able to translate AI/ML concepts for experimental scientists and partners.

Responsibilities

• Lead the technical roadmap and day-to-day execution for agentic AI workflows across discovery programs.
• Lead the design, build, and deployment of multi-step agentic systems integrating ML-driven design with automated decision loops.
• Drive efficiency gains in discovery collaborations and enable scalable business opportunities.
• Co-lead the Iambic Lab of the Future, integrating AI design with HTE platforms and data pipelines.
• Partner with computational, experimental, and data teams to ensure robustness and adoption.
• Represent Iambic's agentic discovery capabilities externally at conferences and partnerships.
• Align agentic discovery strategy with platform priorities and business objectives.
• Develop and mentor a high-performing AI group.

Skills

AI/ML leadership

Cross-functional leadership

Scientific communication

Industry experience

Education

PhD in computational chemistry/ML/structural biology

Tools

LLM-based agents

Workflow orchestration frameworks

Lab automation pipelines

Job description

Job Summary

Iambic Therapeutics is seeking an exceptional scientific and technology leader 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

Iambic is a clinical‑stage life‑science and technology company developing novel medicines using its AI‑driven discovery and development platform. Based in San Diego and founded in 2020, Iambic has assembled a world‑class team that unites pioneering AI experts and experienced drug hunters. The Iambic platform has demonstrated delivery of new drug candidates to human clinical trials with unprecedented speed and across multiple target classes and mechanisms of action. Iambic is advancing a pipeline of potential best‑in‑class and first‑in‑class clinical assets, both internally and in partnership, to address urgent unmet patient need. Learn more about the Iambic team, platform, pipeline, and partnerships at iambic.ai.

MISSION & CORE VALUES

Our mission is to deliver better medicines through innovations in AI‑based discovery technologies. The culture and work at Iambic Therapeutics are profoundly strengthened by the diversity of our people and our differences in background, culture, national origin, religion, sexual orientation, and life experiences. 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.

Compensation Range: $208K - $315K