AI Engineer I

Responsibilities

• Design architecture and training strategies for domain-specific multimodal AI models reasoning over molecular structures and protein data
• Build multi-agent systems for scientific research workflows including task decomposition and tool calling
• Develop generative molecular design approaches using diffusion models, transformers, and VAEs
• Build multimodal RAG pipelines over structured data, experimental reports, and images
• Train and deploy deep learning models for molecular property prediction and virtual screening
• Implement molecular representations such as GNNs and equivariant architectures
• Deploy models into serving infrastructure for researcher queries and batch inference

Requirements

• B.Sc in computational or quantitative discipline (CS, Data Science, Cheminformatics, etc.) with 2-3 years industry experience, or PhD with 1+ year experience
• Strong programming skills in Python
• Experience with self-supervised learning, Mixture of Experts (MoE), and Distributed training (DeepSpeed, FSDP)
• Knowledge of generative models (diffusion, autoregressive transformers, VAEs)
• Ability to work independently in a collaborative, cross-functional environment
• Legally authorized to work in the United States

Benefits

• Health Care Plan (Medical, Dental & Vision)
• Retirement Plan (401k, IRA)
• Life Insurance
• Paid Time Off (Vacation, Sick & Public Holidays)
• Family Leave
• Short Term & Long Term Disability
• Training & Development
• Free Food & Snacks
• Wellness Resources
• Stock Option Plan

About the Company

Frontier Medicines is advancing AI and cheminformatics capabilities in support of covalent small molecule drug discovery to make a difference for patients suffering from debilitating diseases.