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# Principal Scientist, Biologics Machine Learning

- **Company:** INSILICO SEARCH PARTNERS, LLC
- **Location:** Cambridge, MA, United States
- **Experience:** Expert
- **Contract:** Permanent contract
- **Skills:** Artificial Intelligence, Python (Programming Language), Machine Learning, Tensorflow, Pytorch, Large Language Models, Deep Learning, Generative AI, Variational Autoencoders
- **Published:** November 8, 2026
- **Apply:** https://www.juju.com/job/28_25303_9f650ff891c58f23b3a436658a84aded

## About the Role

* Master's or PhD in a relevant field (machine learning, mathematics, statistics, computational sciences) with 5+ years of scientific, engineering, or computational experience in academic, pharmaceutical, or biotech settings; industry AI/ML experience preferred.
 * Depth in Python, modern ML frameworks (PyTorch or JAX/TensorFlow), and deep learning architectures.
 * Experience driving results through teams of engineers and scientists in fast-paced, entrepreneurial environments.
 * Track record of leadership on AI/ML model progression, reflected in publications, patents, or high-impact internal reports., * Hands-on protein modeling and design, and LLM/agentic automation of scientific workflows.
 * Breadth across proteomics/mass spec, cheminformatics/docking/ADMET, and biophysics/MD.
 * Generative modeling (diffusion/flow/VAEs) for sequences, graphs, or 3D structures; docking rescoring (e.g., gnina, DiffDock) and pose quality metrics.

## Description

* Lead several AI/ML and computational projects across early-stage ventures, from scoping through production, within agreed budgets and timelines.
 * Own method and pipeline development for protein modeling and design, including generative modeling (diffusion, flow, VAEs) for sequences, graphs, or 3D structures.
 * Design LLM-based agents and agentic workflows that automate protein design, docking, and mass spec pipelines.
 * Drive benchmarking, scaling, and implementation into production-grade systems, with rigor in model development and reporting.
 * Manage and coordinate scientists and engineers, mentor early hires, and support recruiting and interviewing.
 * Scout emerging literature, propose new development strategies, and represent the team to portfolio companies and external partners as a recognized subject matter expert.