AI Engineer, Generative Chemistry

Category:

Scientific

Employment Type:

Direct Hire

Reference:

BH-392410

Yoh is seeking an exceptional and highly motivated AI Engineer, Generative Chemistry
to join our stealth, early-stage, well-funded startup based in San Francisco, CA. This role sits at the intersection of machine learning, chemistry, and AI infrastructure, and will work closely with the CEO/CTO to build and validate foundation models for molecular science in real-world environments. The successful candidate will be a Founding Member of Technical Staff
building intelligent systems that can both design and make molecules from regions of chemical space that have historically been inaccessible. This is a high-ownership, on-site role offering the opportunity to define the core technical foundations, research direction, and culture of the company from first principles through production.

Job Description

• Design, train, and scale large foundation models for molecular science, including molecular and language representations, biomolecules, generative modeling, and reasoning systems.
• Develop models and evaluation frameworks that explicitly integrate molecular physics, electronic structure, and chemical reaction mechanisms.
• Build interfaces and systems for AI-orchestrated laboratory execution and physical validation, including uncertainty quantification and experimental optimization.
• Develop evaluation frameworks to assess chemical validity, synthesizability, and downstream scientific or industrial utility.
• Build and maintain scalable infrastructure for model training, inference, data generation, and experimentation.
• Leverage and adapt state-of-the-art AI tools for coding, research, and analysis, treating modern AI systems as core development tools to accelerate scientific insight.
• Collaborate closely with leadership and cross-functional partners to influence research direction, technical architecture, and product strategy.

• Strong background in machine learning, computational chemistry, or a closely related field.
• PhD or equivalent experience in AI for molecular sciences, foundation models, generative chemistry, or drug discovery preferred.
• Demonstrated experience training, improving, or deploying large-scale machine learning systems (e.g., protein folding, generative models, representation learning, foundation models).
• Experience working with noisy, sparse, or experimentally grounded datasets.
• Comfort using AI systems for coding, debugging, experimentation, and rapid research iteration.
• Ability to work effectively with complex software codebases in a fast-paced, evolving environment.

• Foundational impact: Help define the scientific and technical core of a new AI-for-science company.
• Research with consequences: Your work will directly inform physical experiments and real-world systems.
• High signal environment: Small team, rapid iteration, and minimal bureaucracy.
• Intellectual ambition: Tackle challenging problems with meaningful scientific and industrial outcomes.
• Competitive compensation and equity aligned with company succes

• Medical, Prescription, Dental & Vision Benefits (for employees working 20+ hours per week)
• Health Savings Account (HSA) (for employees working 20+ hours per week)
• Life & Disability Insurance (for employees working 20+ hours per week)
• MetLife Voluntary Benefits
• Employee Assistance Program (EAP)
• 401K Retirement Savings Plan
• Direct Deposit & weekly epayroll
• Referral Bonus Programs
• Certification and training opportunities