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Scientist / Senior Scientist in Cheminformatics(m/w/x)
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
- English – Business Fluent
Tools & Technologies
- RDKit
- OpenEye
- Python
- PyTorch
- scikit-learn
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Scientist / Senior Scientist in Cheminformatics(m/w/x)
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
- English – Business Fluent
Tools & Technologies
- RDKit
- OpenEye
- Python
- PyTorch
- scikit-learn
About the Company
1201 F. Hoffmann-La Roche AG
Industry
Healthcare
Description
Roche is dedicated to advancing science and ensuring access to healthcare for everyone, with over 100,000 employees globally.
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