Job Description
Description
The Computational Chemistry Group in the Computational Science and Data Strategy (CSDS) department at Takeda Research focuses on integrating computational methodologies to advance drug discovery and development.
Responsibilities
In this role, you will:
Design, train, and evaluate modern machine learning models applied to chemical and biological problems.Collaborate with the machine learning research team to explore and test new algorithmic ideas.Clean, organize, and analyze chemical and biological datasets for modeling and benchmarking.Build and validate models for (bio)molecular property prediction and optimization.Compare different molecular representations (e.g., SMILES, graphs, fingerprints) in both supervised and unsupervised learning setups.Work closely with colleagues in chemistry, biology, and data science to understand real R&D needs and how ML solutions can be integrated...
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