Postdoctoral Scientist: Computational Protein Design & AI

MSD; Cambridge (MA); On-site; USD 82,000 - 92,000; Full time

Benefits offered by this job

Annual bonus

Long-term incentive

Medical/dental/vision benefits

Retirement plan

Job summary

MSD’s Discovery Biologics in Cambridge, MA seeks a postdoctoral scientist to push computational protein engineering and AI-driven design. You will develop ML tools, ensemble-aware design, and physics-based modeling for biotherapeutics, publishing in peer-reviewed venues and contributing to rapid data generation and validation.

You will leverage state-of-the-art capabilities in computational design, high-throughput production, and collaboration across interdisciplinary teams, delivering

Qualifications

• Experience applying computational protein design tools and structure prediction for binder design.
• Understanding experimental techniques for evaluation and characterization.
• Ability to construct rigorous benchmarks and curate high-quality datasets.
• Proficient in Python and ML frameworks (PyTorch, JAX) with HPC and reproducible software development.
• Strong collaboration and clear scientific communication with publications.

Responsibilities

• Implement benchmarking strategies for state-of-the-art computational protein design.
• Develop ensemble-aware generative design and scoring for next-generation biotherapeutics.
• Communicate findings via manuscripts and high-quality models and tools.

Skills

Python

PyTorch/JAX

HPC

Collaborating

Publications

Data benchmarking

Critical thinking

Scientific communication

Education

PhD in Computational Biology/Bioinformatics/CS/Biophysics/Computational Chemistry/ML or related

Tools

RFdiffusion

BoltzGen

ProteinMPNN

AlphaFold

Boltz

ESMFold

AMBER

Desmond

GROMACS

OpenMM

Job description

MSD’s Discovery Biologics in Cambridge, MA seeks a postdoctoral scientist to push computational protein engineering and AI-driven design. You will develop ML tools, ensemble-aware design, and physics-based modeling for biotherapeutics, publishing in peer-reviewed venues and contributing to rapid data generation and validation.

You will leverage state-of-the-art capabilities in computational design, high-throughput production, and collaboration across interdisciplinary teams, delivering