Jakub Adamczyk
Principal Investigator (PI), lab leader · Researcher, Faculty of Computer Science, AGH
Jakub Adamczyk is the founder and Principal Investigator (PI) of the Machine Learning and Chemoinformatics Lab (MLCIL), Faculty of Computer Science, AGH University of Krakow, with responsibility for the research agenda, the lab members and the grants held by the group.Machine Learning and Chemoinformatics LabAGH University of KrakowLab leader and founder of MLCIL. My scientific interests include chemoinformatics, QSAR/QSPR, graph machine learning, and applications of ML in chemoinformatics and other fields. Working as a Senior Chemoinformatician at MatGen.
Researchers
Wojciech Czech
Researcher, PhD
Researcher working on graph machine learning, structural pattern recognition, and complex networks. My work spans graph topological descriptors, molecular graph classification, and exploration of large networks. Working as the CTO of Placewise.
Krzysztof Baczyński
Researcher, PhD
Computational biophysicist by training. Senior Cheminformatics Engineer with a background as a Senior Data Scientist and Cheminformatician at Ryvu Therapeutics and Selvita. My scientific interests focus on cheminformatics and CADD for early-stage drug discovery, particularly QSAR/QSPR modeling, chemical space exploration, molecular representations, and screening library design.
PhD students
Mateusz Praski
PhD student
Researching molecular representation learning, pre-trained models for chemistry, and fair evaluation of molecular representations. Working as a Senior ML Specialist at Selvita, mainly on protein representation learning.
Piotr Ludynia
PhD student
Researching optimizations of ML algorithms, particularly in chemoinformatics. I am one of the primary developers of scikit-fingerprints. Working as a Machine Learning Engineer at Enelpol.
Adam Staniszewski
PhD student
Researching molecular representations and non-typical QSAR/QSPR targets like massively multilabel classification and biologic macromolecules. Working as an ML Engineer and Chemoinformatician at MatGen and the Institute of Pharmacology of the Polish Academy of Sciences
Jolanta Śliwa
PhD student
I am researching machine learning applications in tabletop pen & paper RPG game design, particularly predictive models for ordinal regression. Working as a Software Engineer at IBM.
Students
Franciszek Job
MSc student
My work focuses on high-performance data pipelines and large-scale data processing for chemoinformatics. Working as a Software Engineer at Software Mansion, and as a freelance full-stack developer at Venti Labs.
Kacper Szot
MSc student
I work on structure-based and ligand-based virtual screening, particularly fair evaluation of algorithms for those problems. Working as a Software Engineer at Software Mansion.
Maciej Nowakowski
MSc student
I work on fair evaluation ligand-based virtual screening and curating benchmarks for those problems.
Przemysław Popowski
MSc student
My research focuses on robust global recommendation systems based on Bayesian statistics. Working as a Junior Software Engineer at AVSystem.
Iga Antonik
MSc student
My research concerns developing datasets and QSAR/QSPR models fornovel psychoactive substances (NPS). Working as a Software Engineer at Google.
Jakub Ciszewski
MSc student
My research concerns developing datasets and software fornovel psychoactive substances (NPS). Working as a Software Developer at Motorola Solutions.
Michał Szymocha
BSc student
My work focuses on maximum diversity picking and developing efficient scientific software. Working as a Research Intern at the Jagiellonian Center for Artificial Intelligence (JCAI).
Maciej Kmąk
BSc student
My work focuses on maximum diversity picking and developing efficient scientific software. Working as a Software Engineer at Software Mansion.
Maciej Wiśniewski
BSc student
My work focuses on maximum diversity picking and developing efficient scientific software. Working as a Full Stack Software Engineer at Sabre.
Hubert Miklas
BSc student
My work focuses on maximum diversity picking and developing efficient scientific software. Working as a Software Development Engineer at Remitly.
Aleksander Jóźwik
BSc student
I am developing scikit-fingerprints and other efficient chemoinformatics software. Working as a Software Developer at Appliscale.
Dariusz Marecik
BSc student
I am developing scikit-fingerprints and other efficient chemoinformatics software. Working as a Software Developer at Appliscale.
Collaborators
People we work with regularly at other institutions.
Paweł Siedlecki
Assistant Professor, PhD, Institute of Biochemistry and Biophysics of the Polish Academy of Sciences (IBB PAS)
Leader of CHEMM group at IBB PAS. My work focuses on protein-ligand affinity prediction and in silico molecular screening. I also work on applying QSAR/QSPR in ecotoxicology and agrochemistry.
Jakub Poziemski
PhD student, Institute of Biochemistry and Biophysics of the Polish Academy of Sciences (IBB PAS)
My work focuses on protein-ligand affinity prediction and incorporating molecular dynamics information into those problems. I also work on applying QSAR/QSPR in ecotoxicology and agrochemistry. Working as a
Joining the lab
We are open to collaborations with researchers, students and companies working on similar research areas. Contributions to our open source projects are welcome from anyone. See the contact page for how to reach us.