Senior ML Biophysicist - Protein Dynamics & MD

Merge Labs; San Francisco (CA); On-site; USD 180,000 - 240,000; Full time

Job summary

Merge Labs seeks a Senior / Principal ML Biophysicist to lead scalable molecular dynamics pipelines and marry physics-based models with machine learning. You will architect molecular modeling foundations, build tools for simulating and interpreting biomolecular dynamics, and translate findings into predictive frameworks to accelerate molecular engineering.

You will collaborate with wet-lab scientists, prototype frameworks, and develop first-principles priors within a roadmap-driven research

Qualifications

• Strong grounding in deep-learning, protein-structure modeling, and molecular dynamics.
• Experience with transfer-learning strategies.
• Proficiency in Python / PyTorch / Jax and production-grade code.
• Experience bridging ML and experimental science with sparse/noisy data.
• Collaborative, systems-level mindset.

Responsibilities

• Build the scientific and engineering scaffolding for protein structure modeling, molecular dynamics, and integrations with downstream ML frameworks.
• Collaborate with wet-lab scientists to define tractable optimization objectives and encode domain priors.
• Prototype modeling frameworks using internal and public datasets; benchmark and validate performance.
• Demonstrate accessibility of first-principles analysis to non-domain experts.
• Drive the development of ML frameworks that incorporate first-principles priors.
• Stay up-to-date with the latest research and prototype novel algorithms for discovery pipelines.
• Contribute to the long-term research roadmap and serve as a thought-leader.

Skills

Deep learning

Protein modeling

Molecular dynamics

Transfer learning

Python

PyTorch

JAX

Production code

Experiment data

Job description

Merge Labs seeks a Senior / Principal ML Biophysicist to lead scalable molecular dynamics pipelines and marry physics-based models with machine learning. You will architect molecular modeling foundations, build tools for simulating and interpreting biomolecular dynamics, and translate findings into predictive frameworks to accelerate molecular engineering.

You will collaborate with wet-lab scientists, prototype frameworks, and develop first-principles priors within a roadmap-driven research