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General Information

Full Name Batuhan Kav
Languages Turkish (Native), English (Professional), German (Advanced)

Education

  • 2015 - 2019
    PhD in Theoretical Biophysics
    Max Planck Institute of Colloids and Interfaces, Potsdam, Germany
  • 2013 - 2015
    MSc in Physics
    Koç University, Istanbul, Turkey
  • 2009 - 2013
    BSc in Chemistry
    Bilkent University, Ankara, Turkey

Experience

  • 06.2025 - Present
    Intentional Career Break
    • Open-source project development in AI4Science
    • Agentic AI and knowledge graphs
  • 2022 - 2025
    Machine Learning Engineer
    ariadne.ai GmbH, Heidelberg, Germany
    • Led research and development for biomedical imaging and spatial data analysis, resulting in three different features offered as part of company's SAAS
    • Developed robust object (cell and tissue) segmentation models using deep neural networks, significantly reducing project delivery times.
    • Led internal and customer projects involving statistical modeling of high-dimensional image data.
  • 2019 - 2022
    Postdoctoral Researcher
    Forschungszentrum Jülich, Jülich, Germany (with Prof. Birgit Strodel).
    • Main focus on understanding the structure and aggregation dynamics of the intrinsically disordered proteins related to the neurodegenerative diseases.
    • Developed a virtual drug discovery data pipeline for compounds preventing disordered protein aggregation.
    • Developed machine learning methods for molecular dynamics force field development.
    • Investigated the effect of mutations in protein sequences and their relevance for renal diseases.
  • 2015 - 2019
    PhD Student
    Max Planck Institute of Colloids and Interfaces, Potsdam, Germany (with Dr. Thomas Weikl and Prof. Dr. Emanuel Schneck).
    • Investigated the role of membrane-embedded small sugar molecules in facilitating membrane adhesion using molecular dynamics simulations.
    • Developed a full-atomistic molecular dynamics force field to accommodate different water types.
    • Developed statistical methods for predicting the forces between small sugar molecules during binding.

Open Source Projects

  • 2020 - Present
    NMRLipids (FAIRMD) Project
    • Core designer and developer of the open-source NMRLipids databank for molecular dynamics simulation data. Currently it is the world's largest open databank on lipids.
  • 2025 - Present
    scikit-mol
    • Contributor to a project aiming to seamlessly combine machine learning library scikit-learn and cheminformatics library RDKit to streamline machine learning workflows for cheminformatics.
  • 2025 - Present
    IDPdatabank
    • Core designer and developer of the open-source IDPDatabank that can be used to validate classical and generative AI structure predictions.

Professional Interests

  • Machine Learning
    • Deep Learning, Computer Vision, Graph Neural Networks
  • Computational Chemistry
    • Molecular Dynamics, Drug Discovery, Cheminformatics
  • Biomedical Data Analysis
    • Biomedical Imaging, Proteomics, Transcriptomics
  • Agentic AI and Knowledge Graphs

Computer Skills

  • Languages
    • Python
  • ML Frameworks
    • PyTorch, PyTorch-geometric, scikit-learn
  • Python Libraries
    • numpy, scikit-image, OpenCV, Pandas, RDKit, squidpy
  • Cloud
    • AWS, GCP
  • Version Control
    • git
  • Databases
    • SQL
  • ML/Dev-Ops
    • MLFlow, Docker
  • Molecular Dynamics and Docking
    • AMBER, Gromacs, OpenMM, Autodock Vina