Quantum ML Scientist for Small-Molecule Drug Discovery

Roche; Welwyn; On-site; GBP 60,000 - 80,000; Full time

Job summary

Roche is seeking a Machine Learning Scientist to join its small-molecule team in Welwyn. This role involves combining machine learning with quantum chemistry to enhance small-molecule drug discovery processes.

The ideal candidate will have deep expertise in machine learning, hands-on experience in quantum chemistry, skills in Python and relevant tools, and a PhD in a quantitative field. Join Roche to contribute to innovative drug discovery methods.

Qualifications

• Deep machine-learning expertise with a strong theoretical foundation.
• Hands-on quantum chemistry experience and fluency in relevant toolkits.
• Record of scientific excellence with publications or projects.

Responsibilities

• Create solutions combining quantum chemistry and machine learning.
• Build synthetic datasets to shape research directions.
• Develop deployable pipelines for molecular-design tools.

Skills

Machine learning expertise

Quantum chemistry experience

Fluency in Python

Expertise with Psi4, PySCF

Scientific excellence

Education

PhD or equivalent research depth in a relevant field

Tools

PyTorch

JAX

Job description

Roche is seeking a Machine Learning Scientist to join its small-molecule team in Welwyn. This role involves combining machine learning with quantum chemistry to enhance small-molecule drug discovery processes.

The ideal candidate will have deep expertise in machine learning, hands-on experience in quantum chemistry, skills in Python and relevant tools, and a PhD in a quantitative field. Join Roche to contribute to innovative drug discovery methods.