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121201 F. Hoffmann-La Roche AG

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

Basel
Full-timeOn-siteSenior
AI/ML

Owning and evolving scientific applications for molecular design, championing new AI technologies at a global healthcare company. Expert-level proficiency in RDKit, OpenEye, Python, and modern ML frameworks required. Independent design of computational analyses, leading technical teams.

Requirements

  • PhD in a physical or quantitative discipline or BS/MS with 7+ years of relevant industry research experience
  • Expert-level proficiency in cheminformatics and modeling toolkits (e.g., RDKit, OpenEye), Python, and modern ML frameworks (e.g., PyTorch, scikit-learn)
  • Exceptional record of scientific impact and independent innovation
  • Proven ability to lead technical teams and mentor scientists
  • Strong partnerships with scientific collaborators and effective solution delivery

Tasks

  • Contribute to scientific software development
  • Shape the cheminformatics landscape and computational infrastructure
  • Design computational analyses independently
  • Own and evolve scientific applications for molecular design
  • Champion new cheminformatics and AI technologies
  • Identify and deliver advanced cheminformatics technologies and algorithms
  • Guide best practices for scientific applications and AI models
  • Propose and implement integrated scientific software solutions
  • Educate and partner with machine learning scientists and medicinal chemists
  • Mentor and conduct training sessions for scientific teams
  • Contribute to publications, internal reports, and patents
  • Present at national and international scientific forums

Work Experience

  • 3 - 6 years

Education

  • Master's degree

Languages

  • EnglishBusiness Fluent

Tools & Technologies

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