Associate Scientist, Postdoctoral Fellow - Computational Protein Design

Postdoctoral scientist position at Merck's Discovery Biologics in Cambridge, MA, focused on developing AI/ML and physics-based computational tools for protein design and structure prediction. The role emphasizes ensemble-aware design methodologies to advance biotherapeutics, with expectations for peer-reviewed publications and tool dissemination.

Responsibilities

• Implement benchmarking strategies to evaluate state-of-the-art computational protein design approaches
• Develop and validate ensemble-aware generative design and scoring methodologies for biotherapeutics
• Author high-impact manuscripts and communicate findings to internal and external scientific communities
• Distribute high-quality computational models and tools for broader scientific use

Requirements

• PhD in Computational Biology, Bioinformatics, Computer Science, Biophysics, Computational Chemistry, Machine Learning, or related quantitative field
• Hands-on experience with protein design tools (RFdiffusion, BoltzGen, ProteinMPNN) and structure prediction algorithms (AlphaFold, Boltz, ESMFold)
• Strong Python proficiency and experience with modern ML frameworks (PyTorch, JAX)
• Demonstrated ability to construct rigorous benchmarks, curate datasets, and apply critical analytical skills
• Track record of first-author peer-reviewed publications and major conference presentations
• Experience with high-performance computing and reproducible software development
• Commitment to collaboration in highly interdisciplinary environments

Compensation: $82,000-$92,000