Multimodal AI Cheminformatics Engineer I

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

Benefits offered by this job

Health Care Plan

401k/IRA

Paid Time Off

Stock options

Training & Development

Free Food & Snacks

Wellness Resources

Job summary

Frontier Medicines seeks a Scientist, AI Engineer to advance AI and cheminformatics for covalent small molecule drug discovery. You will design, train, and deploy multimodal models that leverage proprietary chemistry and proteomics data to accelerate compound design and optimization.

You will collaborate with medicinal chemistry, biology, and cross-functional teams to build AI-powered tools that translate complex data into actionable scientific insight, contributing to a startup-like, highly

Qualifications

• Design architecture and training strategies for domain-specific multimodal AI models.
• Design and build multi-agent systems for scientific research workflows.
• Develop generative molecular design approaches and diffusion models.
• Build multimodal RAG pipelines over structured data and reports.
• Train, evaluate, and deploy deep learning models for molecular property prediction.
• Implement and benchmark molecular representations and transfer learning.
• Deploy models into serving infrastructure for researchers.

Responsibilities

• Design architecture and training strategies for domain-specific multimodal AI models that reason over molecular structures, assay data, protein structures, and scientific text — trained on Frontier’s proprietary data.
• Design and build multi-agent systems for scientific research workflows and tool interfacing.
• Develop and adapt generative molecular design approaches to explore covalent compound libraries.
• Build multimodal RAG pipelines over structured data and experimental reports.
• Train, evaluate, and deploy deep learning models for molecular property prediction and SAR analysis.
• Deploy models into serving infrastructure reachable by researchers and agents.

Skills

Domain multimodal AI

MoE training

Agentic AI systems

Molecule data understanding

Python programming

Collaborative work

Self-supervised learning

Distributed training

Education

B.Sc in computational/quantitative discipline

PhD with industry experience

Tools

DeepSpeed

FSDP

PyTorch

Job description

Frontier Medicines seeks a Scientist, AI Engineer to advance AI and cheminformatics for covalent small molecule drug discovery. You will design, train, and deploy multimodal models that leverage proprietary chemistry and proteomics data to accelerate compound design and optimization.

You will collaborate with medicinal chemistry, biology, and cross-functional teams to build AI-powered tools that translate complex data into actionable scientific insight, contributing to a startup-like, highly