AI Cheminformatics Engineer I

Job overview

The AI Cheminformatics Engineer I is an onsite role in South San Francisco, CA, paying $100,000–$158,900 per year. The role supports Frontier Medicines’ AI organization and covalent small-molecule drug discovery work. The engineer develops machine learning models, agentic AI systems, and generative approaches that use chemistry and chemoproteomics data to inform compound design, prioritization, and optimization. The work translates complex scientific data into tools and insights for medicinal chemistry, biology, and computational chemistry teams.

What you'll do

• Design and train domain-specific multimodal AI models
• build multi-agent systems for scientific research workflows
• develop generative molecular design approaches
• build multimodal retrieval-augmented generation pipelines
• train, evaluate, and deploy models for molecular property prediction, virtual screening, ADMET modeling, and SAR analysis
• implement and benchmark molecular representations and learning approaches
• deploy models into serving infrastructure for researchers and agents.

What we're looking for

Skills & competencies

ai cheminformatics engineer i

machine learning

generative ai

agentic ai

drug discovery

molecular modeling

cheminformatics

south san francisco ca

frontier medicines

$100k–$158.9k/year

Work arrangement

• Weekend coverage required

Benefits & perks

• Medical, dental, and vision coverage
• retirement plan
• life insurance
• paid time off and holidays
• family leave
• short- and long-term disability
• training and development
• free food and snacks
• wellness resources
• stock option plan.

Why this role

Individual-contributor role combining AI engineering and cheminformatics for covalent small-molecule drug discovery; salary range is $100,000–$158,900.

About the employer

Frontier Medicines is hiring for this role. Industry: Research and Development in Biotechnology (except Nanobiotechnology). Sector: 54.