Senior Quantum Chemistry ML Scientist - Drug Discovery

Senior Quantum Chemistry ML Scientist - Drug Discovery

Full-Time No working from home possible
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At a Glance

  • Tasks: Combine ML with quantum chemistry to create fast, accurate models for drug discovery.
  • Company: Join Roche Products Ltd., a leader in innovative healthcare solutions.
  • Benefits: Competitive salary, health benefits, and opportunities for professional growth.
  • Other info: Collaborate with world-class scientists in a dynamic research environment.
  • Why this job: Make a real impact in drug discovery using cutting-edge technology.
  • Qualifications: Deep ML knowledge and experience with quantum chemistry toolkits and Python frameworks.

Roche Products Ltd. is seeking a Machine Learning Scientist to join the AI for Drug Discovery team within the Computational Sciences Center of Excellence. You will combine ML with quantum chemistry to build fast, accurate models for small‑molecule research and collaborate with world‑class computational and experimental scientists.

Applicants should have:

  • Deep ML knowledge
  • Experience with quantum chemistry toolkits (Psi4, PySCF, ORCA)
  • Python-based ML frameworks (PyTorch, JAX)

Senior Quantum Chemistry ML Scientist - Drug Discovery employer: Roche Holding AG

At Roche, we pride ourselves on fostering a culture that values individuality and encourages open dialogue, making it an exceptional place to work. As a Disease Level Partner in South Central UK, you will have the opportunity to make a meaningful impact on patient outcomes while enjoying a supportive environment that promotes personal and professional growth. With a commitment to diversity and flexible working arrangements, Roche ensures that every employee feels valued and empowered to thrive.

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Contact Details:

Roche Holding AG Recruitment Team

We think you need these skills to ace Senior Quantum Chemistry ML Scientist - Drug Discovery

Machine Learning
Quantum Chemistry
Psi4
PySCF
ORCA
Python
PyTorch