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121201 F. Hoffmann-La Roche AG

Scientist / Senior Scientist in Cheminformatics(m/w/x)

Basel
Full-timeOn-siteSenior
AI/ML
Data Science

Designing and maintaining pipelines for biochemical and biophysical datasets, leveraging AI models at global healthcare company. Deep experience with chemical datasets, LBDD/SBDD, and protein structures required. Collaboration with ML scientists, experimentalists, and chemists.

Requirements

  • PhD in physical or quantitative discipline or BS/MS with 5+ years of relevant industry research experience
  • Proven track record of innovating and delivering cheminformatics solutions, scientific software, and independent data analyses
  • Fluency in cheminformatics/modeling toolkits (e.g., RDKit, OpenEye), Python, and modern ML frameworks (e.g., PyTorch, scikit-learn)
  • Deep experience with chemical datasets and concepts such as LBDD/SBDD and protein structures
  • Effective communication and team collaboration skills

Tasks

  • Design and build cheminformatics pipelines
  • Maintain reliable cheminformatics workflows
  • Collaborate with ML scientists, experimentalists, and chemists
  • Curate and integrate diverse biochemical datasets
  • Leverage biophysical and chemical datasets for AI models
  • Apply best practices in data analysis and software development
  • Refine algorithms for improved performance
  • Contribute to documentation and internal communication
  • Present findings at conferences and publish reports

Work Experience

  • 5 years

Education

  • Bachelor's degree

Languages

  • EnglishBusiness Fluent

Tools & Technologies

  • RDKit
  • OpenEye
  • Python
  • PyTorch
  • scikit-learn
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