Tomasz Danel

Principal Investigator

PhD in Machine Learning from Jagiellonian University. In his research, Tomasz focuses on developing new machine learning models for molecular design, with a particular interest in geometric deep learning for early-stage drug discovery. He is also a member of the Group of Machine Learning Research GMUM.

Łukasz Janisiów

ML Scientist

PhD student in Technical Computer Science at Jagiellonian University. Łukasz brings deep expertise in interpretable machine learning. He is working on generative, predictive and large language models for molecular design. He is part of the Group of Machine Learning Research GMUM and the European Laboratory for Learning and Intelligent Systems ELLIS.

Marta Radko

Cheminformatician

MSc in Medicinal Chemistry who traded the fume hood for a code editor, deciding that debugging is (usually) safer than handling organic reagents. Marta is currently venturing into the world of algorithms and software engineering. She is enthusiastically exploring how machine learning can decode protein-ligand interactions, aiming to translate her chemical intuition into valid code for modern drug design.

Weronika Smolak-Dyżewska

ML Scientist

PhD student in Technical Computer Science at Jagiellonian University. Weronika specializes in 3D graphics and computer vision. Her research centers on 3D reconstruction methods, particularly in applications within the medical domain. She is part of the Group of Machine Learning Research GMUM.

Kacper Tonn

Cheminformatician

Double MSc in Medicinal Chemistry and Molecular Biotechnology from Jagiellonian University, currently pursuing a PhD in Chemistry. Kacper's research focuses on applying machine learning and molecular modeling to understand protein–ligand interactions, optimize bioactive compounds, and develop reliable, interpretable AI tools for modern drug design.

Marcin Cieślak

Computational Chemistry Expert

PhD in Medicinal Chemistry from the Jagiellonian University. Marcin specializes in integrating classical computational chemistry methods with modern AI-based approaches. His research is particularly focused on AI-driven QSAR modeling for predicting biological activity and physicochemical properties of chemical compounds.

Jacek Plewka

Biochemistry Expert

PhD in Natural Resources and Life Sciences from BOKU University, Vienna. Jacek is passionate about advancing cancer immunotherapy, with a particular focus on immune checkpoint targets such as LAG-3 and PD-L1. His research centers on the design and validation of novel small-molecule drug candidates. He is especially interested in elucidating their mechanisms of action at the molecular level to better understand and optimize therapeutic efficacy.

Sabina Podlewska

Virtual Screening Expert

PhD in Chemistry and a habilitation in Pharmaceutical Sciences. She brings deep expertise in cheminformatics, particularly in the application of diverse compound representations for AI-driven computer-aided drug design. She has strong experience in medicinal chemistry, virtual screening, and related computational approaches. She supports our team in preparing VS protocols and selecting compounds for purchase and testing.

Prof. Justyna Kalinowska-Tłuścik

Structural Chemistry Advisor

PhD and habilitation in Chemistry from Jagiellonian University. Her research interest covers the elucidation of the structural basis of protein-ligand mutual recognition and drug discovery based on computer-aided methods. In the project, she advises on the analysis and interpretation of chemical structures and molecular modeling results.

Prof. Andrzej Bojarski

Medicinal Chemistry Advisor

Professor of Pharmaceutical Sciences at the Maj Institute of Pharmacology Polish Academy of Sciences. He brings extensive expertise in medicinal chemistry and is highly experienced in leading and conducting medicinal chemistry projects. In the project, he advises on the selection criteria and development of successful drug candidates.

Prof. Igor Podolak

Machine Learning Advisor

Professor of Technical Computer Science at Jagiellonian University and co-founder of the Group of Machine Learning Research GMUM. He brings extensive expertise in training and interpreting deep learning models. In the project, he advises on machine learning model development and their integration with large language models.