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General Information
| Full Name | Batuhan Kav |
| Languages | Turkish (Native), English (Professional), German (Advanced) |
Education
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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
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06.2025 - Present Intentional Career Break
- Open-source project development in AI4Science
- Agentic AI and knowledge graphs
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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.
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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.
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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
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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.
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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.
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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
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Machine Learning
- Deep Learning, Computer Vision, Graph Neural Networks
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Computational Chemistry
- Molecular Dynamics, Drug Discovery, Cheminformatics
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Biomedical Data Analysis
- Biomedical Imaging, Proteomics, Transcriptomics
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Agentic AI and Knowledge Graphs
Computer Skills
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Languages
- Python
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ML Frameworks
- PyTorch, PyTorch-geometric, scikit-learn
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Python Libraries
- numpy, scikit-image, OpenCV, Pandas, RDKit, squidpy
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Cloud
- AWS, GCP
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Version Control
- git
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Databases
- SQL
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ML/Dev-Ops
- MLFlow, Docker
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Molecular Dynamics and Docking
- AMBER, Gromacs, OpenMM, Autodock Vina