Principal Machine Learning Scientist

Role: Principal Machine Learning Scientist (Multiple Hires)

At Mirai, we work with brilliant minds on missions that matter, and this is certainly one to celebrate!

We are looking for go-getters with an entrepreneurial mindset, who can wear many hats and thrive in organized chaos! They are well-established, with significant financial backing and set the bar high when it comes to their people.

The Opportunity

A fast-growing company with an AI-first driven platform that combines cutting-edge computational biology, machine learning, and data driven experimentation to launch new ventures tackling some of the most complex challenges in human health and molecular engineering.

We are looking for multiple Principal Machine Learning Scientists to help build and shape entirely new ventures from scratch. This is a hands-on, high-impact role for scientists and engineers who thrive on solving cross-disciplinary problems – from protein design and molecular modelling to LLM-driven scientific agents and automated research workflows.

You’ll be part of a team that turns cutting-edge AI into real-world scientific breakthroughs, working across projects where every decision can shape a company’s trajectory and influence the success of multiple ventures.

What You’ll Be Responsible For

• Leading AI/ML strategy across early-stage venture programs and defining what “high impact” looks like in practice
• Designing, building, and deploying ML systems across protein design, molecular modelling, docking, systems biology, and scientific workflow automation
• Developing LLM-based agents to accelerate research and automate complex scientific processes
• Establishing benchmarking, validation, scaling, and reproducibility standards to ensure models are robust and actionable
• Owning end-to-end ML architecture – from data pipelines and infrastructure through to deployed systems
• Partnering directly with scientific founders and cross-functional teams to guide technical direction
• Mentoring early ML hires and helping shape the first ML teams
• Translating emerging AI/ML research into practical tools that can move ventures forward
• Influencing company strategy through hands-on technical leadership

What We’re Looking For

• PhD or MSc in Machine Learning, Computational Science, Mathematics, Computer Science, or a related field
• 5+ years of applied ML experience in biotech, pharma, or high-impact scientific environments
• Strong hands-on expertise in Python and modern ML frameworks (PyTorch, JAX, TensorFlow)
• Experience taking models from research to production-grade systems
• Proven ability to lead independently on cross-disciplinary projects
• Comfort working in fast-paced, entrepreneurial, and startup-like environments

Highly valued experience includes:

• Protein modelling or protein design
• Cheminformatics, docking, ADMET modelling
• Proteomics or mass spectrometry integration
• Biophysics or molecular dynamics
• Generative modelling (diffusion, flow models, VAEs)
• LLM-based agents and scientific workflow automation
• MLOps and scalable infrastructure (AWS, MLflow, Docker, CI/CD, orchestration tools)

Role Details

• Location: Cambridge, MA (hybrid)
• Compensation: $220,000 – $300,000 base salary + performance incentives + benefits
• Type: Permanent, full-time
• Hiring: Multiple Principal-level appointments

Diversity & Inclusion

Mirai believes in the power of diversity and the importance of an inclusive culture. It welcomes applications from individuals of all backgrounds, understanding that a range of perspectives strengthens both its team and its partners’ teams. This is just one of the ways they’re taking positive action to shape a collaborative and diverse future in the workplace.