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Internship – Machine Learning and Molecular Simulation for Functional Antibody Characterisation(m/w/x)

Basel
Full-timeInternshipOn-site
AI/ML

Developing novel data-driven sampling methods for antibody structural ensembles. Master's or PhD in a technical field with simulation software and neural network experience required. HPC environments and Python proficiency needed.

Requirements

  • Recent Master's graduate (within 12 months) or enrolled PhD student in Bioinformatics, Computational Biology, Computational Physics, Computer Science, Statistics, Applied Mathematics, or related technical field
  • Theoretical knowledge and practical experience with enhanced sampling methods or other simulation techniques and their application to protein systems
  • Extensive practical experience with at least one simulation software suite (e.g. Amber, OpenMM, Gromacs, Plumed)
  • Some experience with building and training neural networks within at least one DL framework (preferably pytorch), keen to build models from scratch or adapt architectures from literature
  • Fluent in high performance computing (HPC) environments and comfortable with at least one programming language (ideally Python) for building complex orchestrating pipelines
  • Excellent communication and interpersonal skills
  • Maintained enrollment at a university for the full duration of the internship
  • Non-EU/EFTA citizens must provide a certificate from the university stating that an internship is mandatory and must be continuously enrolled for the whole duration of the internship

Tasks

  • Develop novel data-driven sampling methods
  • Evaluate machine learning-based sampling techniques
  • Characterize antibody structural ensembles accurately
  • Generate large-scale synthetic datasets
  • Orchestrate efficient use of compute resources
  • Contribute to real drug-discovery projects
  • Collaborate with teams in Basel, New York, and San Francisco
  • Drive or contribute to publications
  • Present results at internal and external venues

Education

  • Currently in higher education

Languages

  • EnglishNative

Tools & Technologies

  • Amber
  • OpenMM
  • Gromacs
  • Plumed
  • pytorch
  • Python
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