Machine Learning Research Scientist, Senior

Roche

Machine Learning Scientist developing foundation models for drug discovery at Roche. Leveraging data and AI to accelerate drug development and improve patient outcomes.

Posted 6/2/2026full-timeNew York City • California, New York • 🇺🇸 United StatesSenior💰 $141,100 - $262,100 per yearWebsite

Tech Stack

Tools & technologies

PythonPyTorch

About the role

Key responsibilities & impact

Design and train foundation models at scale to answer challenging research questions in large-molecule drug discovery and protein engineering.
Leverage massive structural biology and biophysical datasets, building novel architectures that capture complex geometric and physical priors.
Contribute to publications and present scientific findings at internal and external venues.
Solve real, pressing problems in drug discovery that enable new portfolio capabilities.
Drive publications and present scientific findings at internal and external venues.

Requirements

What you’ll need

PhD degree in Computational Biology, Computer Science, Chemistry, Physics or related disciplines, with up to 2 years of industry research experience (Scientist) or 2+ years of industry research experience (Senior Scientist).
Demonstrated experience with Python and deep learning libraries such as PyTorch and/or JAX.
Demonstrated experience architecting and training deep learning models, particularly utilizing modern approaches (e.g., multimodal representation learning, geometric deep learning, and diffusion models).
Expertise in molecular dynamics simulations and classical force fields (e.g., AMBER, CHARMM, OpenFF), as well as hands-on experience with molecular modeling tools (e.g., OpenMM, Rosetta).
Demonstrated research experience, including at least one first author publication (or equivalent).
Strong communication and collaboration skills
Public portfolio of computational projects (available on e.g. GitHub).

Benefits

Comp & perks

Relocation benefits are NOT available for this job posting
A discretionary annual bonus may be available based on individual and Company performance.
This position also qualifies for the benefits detailed at the link provided below.

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Hard Skills & Tools

Pythondeep learningmultimodal representation learninggeometric deep learningdiffusion modelsmolecular dynamics simulationsclassical force fieldsarchitecting deep learning modelstraining deep learning modelsmolecular modeling

Soft Skills

communication skillscollaboration skills

Certifications

PhD in Computational BiologyPhD in Computer SciencePhD in ChemistryPhD in Physics