Cheminformatics Data Scientist
Hazelwood, DER, GB, DE56 4AN
USD 140K-152K (estimate) Mid-level Full Time
Tasks
- Analyze simulation results and compare with lab measurements
- Build cheminformatics feature sets
- Collaborate with chemists toxicologists and scientists
- Create simulation workflows for structure property performance
- Develop machine learning models for property prediction
- Improve data pipelines and reproducible workflows
- Optimize chemical formulations using machine learning
- Predict toxicity and environmental safety endpoints
- Run molecular dynamics simulations
Perks/Benefits
- Global career mobility
- Learning opportunities
- Professional development
- Safe inclusive work environment
Skills/Tech-stack
Azure AutoML | Azure Machine Learning | Cheminformatics | Data Engineering | Data integration | Databases | GROMACS | HPC | HPC Workflow Automation | HPC scheduling | JMP | Jupyter | Jupyter Notebooks | LAMMPS | Machine Learning | NumPy | OpenMM | Pandas | Python | QSAR | RDKit | Scikit-learn | TensorFlow | Workflow automation | XGBoost
Education
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