My name is Roman Joeres. I'm PhD student in the kalininalab of the Helmholtz Center for Pharmazeutical Research Saarland (HIPS) and Saarland University. My thesis covers explainable and generalizable methods for drug target interaction prediction.
- Graph Neural Network
- Drug Target Interaction Prediction
- all other types of Deep Learning
- Climbing/Bouldering
- Chess
- Programming
- Cycling
- Running
- Swimming
- Dan Brown and Karl May (obviously 😉)
- DataSAIL: A Python framework to compute biochemically informed splits of datasets for ML
- GlyLES: Grammar based parsing of Glycans in IUPAC notation into SMILES
- MSADRL: The code of my bachelors thesis
- GraphPLI: A fully GNN-based framework to predict interactions between proteins and ligands. The branch
thesis_romancovers the code of my Masters Thesis.
- pytest_assertcount: A plugin for pytest to count the actual number of asserts performed during a pytest run.
- PyWLK: A Python package implementing Weisfeiler-Lehman graph kernels and a template for professional python packages
- ProtViewer: View the activities in a protein in a browser interface in 3D.
- SortSolver: Solve sorting games of mobile phones in the browser