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Senior​/Principal Machine Learning Scientist, Structure and Simulation; AI Drug Discovery

Job in New York, New York County, New York, 10261, USA
Listing for: F. Hoffmann-La Roche AG
Full Time position
Listed on 2026-05-30
Job specializations:
  • IT/Tech
    Data Scientist, Machine Learning/ ML Engineer, AI Business & Operations
Salary/Wage Range or Industry Benchmark: 141300 - 274400 USD Yearly USD 141300.00 274400.00 YEAR
Job Description & How to Apply Below
Position: Senior/Principal Machine Learning Scientist, Structure and Simulation (AI for Drug Discovery)
Location: New York

Overview

We are developing models to drive a step‑change in machine learning for drug discovery, transforming disparate processes into a unified approach across all drug modalities.

Responsibilities
  • Develop novel machine learning methods to address challenging research questions in large‑molecule drug discovery.
  • Work with heterogeneous biological and chemical data.
  • Contribute to an initiative consolidating machine learning theory projects into a coherent lab‑in‑the‑loop drug discovery model.
  • Provide leadership in the consolidation initiative (for Principal Scientist).
Senior Scientist Qualifications
  • BS+7 to PhD+2 years in computer science, life or physical sciences, or equivalent experience designing and building machine learning systems for molecules or biological sequences.
  • Proficiency with Python and deep‑learning libraries such as PyTorch, Tensor Flow, or JAX.
  • Familiarity with modern machine learning research areas like reinforcement learning, sampling, and multimodal representation learning.
  • At least one first‑author publication or equivalent research experience.
  • Strong communication and collaboration skills.
  • Portfolio of computational projects available on Git Hub.
Principal Scientist Qualifications
  • BS+10 to PhD+5 years in computer science, life or physical sciences, or equivalent experience designing and building machine learning systems for molecules or biological sequences.
  • Proficiency with Python and deep‑learning libraries such as PyTorch, Tensor Flow, or JAX.
  • Familiarity with modern machine learning research areas like reinforcement learning, sampling, and multimodal representation learning.
  • At least one first‑author publication or equivalent research experience.
  • Strong communication and collaboration skills.
  • Portfolio of computational projects available on Git Hub.
Benefits and Compensation

Senior Scientist (San Francisco): $147,800 – $274,400;
Senior Scientist (New York City ): $141,300 – $262,500.
Principal Scientist (San Francisco): $172,400 – $320,200;
Principal Scientist (New York City ): $164,900 – $306,300.
Relocation benefits are not available. Annual discretionary bonus may be available based on performance. Position qualifies for comprehensive benefits.

Equal Opportunity Statement

Genentech is an equal opportunity employer. Employment decisions are based on merit, qualifications, and competence. The company prohibits unlawful discrimination, including on the basis of veteran status, disability, and all applicable laws.

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Position Requirements
10+ Years work experience
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