Generative AI Scientist for Drug Discovery (Stock Options)

Frontier Medicines; South San Francisco (CA); On-site; USD 100,000 - 159,000; Full time

Benefits offered by this job

Health Care Plan

Retirement Plan (401k)

Life Insurance

Paid Time Off

Family Leave

Short/Long Term Disability

Training & Development

Free Food & Snacks

Wellness Resources

Stock Option Plan

Job summary

Frontier Medicines is seeking a Machine Learning Scientist to join our AI team in South San Francisco. You will build AI systems used by scientists, including LLM-powered agents, generative models for covalent chemistry, and predictive models trained on large proprietary datasets.

The role emphasizes a research mindset and collaboration with medicinal chemistry, biology, and computational chemistry. Prior drug discovery experience is not required; we will teach you the chemistry if you bring

Qualifications

• MS/PhD in computer science, machine learning, computational chemistry, physics, or a related field, or a BS with 2–3 years of equivalent industry or research experience.
• Track record of research: publications, preprints, thesis work, or substantial open-source contributions in ML.
• Hands-on experience building with LLMs and agents, generative models, or multimodal models.
• Strong Python and PyTorch skills, and comfort with modern AI coding tools.
• The ability to take an open-ended scientific problem and turn it into a working system, independently and collaboratively.
• Clear written and verbal communication.
• Legal authorization to work in the United States.

Responsibilities

• Build agentic AI systems for scientific workflows, including multi-agent orchestration and tool integrations.
• Develop and adapt generative models to explore covalent chemical space.
• Construct multimodal models and RAG pipelines reasoning over molecules, data, and images.
• Train and benchmark predictive models for property prediction, virtual screening, and SAR.
• Deploy models and agents so researchers can use them and affect active programs.

Skills

Python

PyTorch

LLMs & agents

Multimodal models

Research publications

Education

MS/PhD in CS/ML/chemistry/physics

BS with 2–3 years experience

Tools

Python

PyTorch

Job description

Frontier Medicines is seeking a Machine Learning Scientist to join our AI team in South San Francisco. You will build AI systems used by scientists, including LLM-powered agents, generative models for covalent chemistry, and predictive models trained on large proprietary datasets.

The role emphasizes a research mindset and collaboration with medicinal chemistry, biology, and computational chemistry. Prior drug discovery experience is not required; we will teach you the chemistry if you bring