Principal – Agentic AI

Iambic Therapeutics

. Lead the technical roadmap and day-to-day execution for agentic AI workflows accelerating small-molecule discovery across internal pipelines and external collaborations .

Posted 10/1/2026full-timeSan Diego • California • United StatesLead💰 $208,000 - $315,000 per yearWebsite

Core Competencies

Role fit

Core Competencies

Use this summary to align your resume positioning with the role.

Expertise in leading the development and execution of AI/ML workflows for small-molecule drug discovery, with a strong focus on integrating computational and experimental methodologies. Proven ability to mentor teams and drive cross-functional collaboration in a fast-paced biotech environment.

Highest-signal resume keywords

PhD In Computational ChemistryAI/ML Workflow Design And DeploymentSmall-Molecule Drug DiscoveryCross-Functional Team LeadershipScientific Communication

ATS Keywords

Tailor your resume

Applicant Tracking System Keywords

Tip: use these terms in your resume and cover letter to boost ATS matches.

Hard Skills

Machine LearningWorkflow OrchestrationStructure-Based DesignADMETMulti-Parameter OptimizationStructure PredictionGenerative ChemistryProperty Prediction

Soft Skills

MentoringCollaborationCommunication

Tools & Technologies

Laboratory Automation PipelinesLLM-Based Agents

Industry Keywords

Drug DiscoveryLife SciencesBiotechPharmaceutical

About the role

Key responsibilities & impact

Lead the technical roadmap and day-to-day execution for agentic AI workflows accelerating small-molecule discovery across internal pipelines and external collaborations
Design, build, and deploy multi-step agentic systems integrating ML-based molecular design with automated decision-making loops for hypothesis generation, compound prioritization, and experimental triage
Drive efficiency gains in discovery collaborations and enable sustainable, scalable business opportunities
Co-lead creation of the Iambic Lab of the Future, integrating AI molecular design with high-throughput experimental platforms and automated data-generation pipelines
Partner with computational, experimental, and data engineering teams to ensure agentic systems are scientifically grounded, technically robust, and operationally adopted
Represent Iambic's agentic discovery capabilities at scientific conferences, partnership discussions, and with academic collaborators
Work with senior leadership to develop agentic discovery strategy aligned with platform development, pipeline priorities, and business objectives
Develop and mentor a high-performing agentic AI team

Requirements

What you’ll need

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
Hands-on experience applying ML models such as structure prediction, generative chemistry, and 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 adapting 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
Currently authorized to work in the United States
Willingness to relocate to San Diego if not already living there

Benefits

Comp & perks

Company-paid healthcare
Flexible spending accounts
Voluntary life insurance
401(k) matching
Uncapped vacation
Onsite gym
Onsite dining
State-of-the-art facility
Easy access to great places to live and play