Principal Scientist, AI for Protein Design & Automation

Insilico Search Partners; Boston (MA); On-site; USD 208,000 - 286,000; Full time

Job summary

Insilico Search Partners seeks a Principal Scientist, Machine Learning – Biomolecules to lead AI/ML efforts at the intersection of protein design and agentic automation. You will set technical direction, work with founders and platform engineers, and turn wins into shared libraries across the portfolio.

You will shape method development for protein modeling, apply generative models and LLM-based automation, and mentor a growing team in a fast-paced biotech environment.

Qualifications

• Master’s or PhD in a relevant field with 5+ years of experience in academic, pharmaceutical, or biotech settings; industry AI/ML experience preferred.
• Strong depth in Python and modern ML frameworks (PyTorch or JAX/TensorFlow).
• Experience leading teams of engineers and scientists in fast-paced environments.
• Track record of leadership on AI/ML model progression, via publications, patents, or internal reports.

Responsibilities

• Lead multiple AI/ML and computational projects across early-stage ventures from scoping through production.
• Own method and pipeline development for protein modeling and design, including generative modeling for sequences/graphs/3D structures.
• Design LLM-based agents and agentic workflows to automate protein design and pipelines.
• Drive benchmarking, scaling, and production-grade implementation with rigorous model development and reporting.
• Mentor scientists and engineers, support recruiting and interviewing.
• Represent the team to portfolio companies and external partners as a subject matter expert.

Skills

Python

ML frameworks

Leadership

Publications/impact reporting

Education

Master’s or PhD in ML, math, statistics, computational sciences

Job description

Insilico Search Partners seeks a Principal Scientist, Machine Learning – Biomolecules to lead AI/ML efforts at the intersection of protein design and agentic automation. You will set technical direction, work with founders and platform engineers, and turn wins into shared libraries across the portfolio.

You will shape method development for protein modeling, apply generative models and LLM-based automation, and mentor a growing team in a fast-paced biotech environment.