Tomasz Danel

According to our database, Tomasz Danel authored at least 24 papers between 2019 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Fragment-Wise Interpretability in Graph Neural Networks via Molecule Decomposition and Contribution Analysis.

Sebastian Musial, Bartosz Zielinski, Tomasz Danel

CoRR, August, 2025

B-XAIC Dataset: Benchmarking Explainable AI for Graph Neural Networks Using Chemical Data.

Magdalena Proszewska, Tomasz Danel, Dawid Rymarczyk

CoRR, May, 2025

PROFIS: Design of Target-Focused Libraries by Probing Continuous Fingerprint Space with Recurrent Neural Networks.

Hubert Rybka, Tomasz Danel, Sabina Podlewska

J. Chem. Inf. Model., 2025

Qsarna: An Online Tool for Smart Chemical Space Navigation in Drug Design.

Marcin Cieslak, Jan Leski, Olga Krzysztynska-Kuleta, Justyna Kalinowska-Tluscik, Tomasz Danel

J. Chem. Inf. Model., 2025

Explainable Artificial Intelligence for Bioactivity Prediction: Unveiling the Challenges with Curated CDK2/4/6 Breast Cancer Dataset.

Adam Sulek, Jakub Klimczak, Jakub Jonczyk, Tomasz Kosciolek, Tomasz Danel, Barbara Pucelik

Proceedings of the Computational Science - ICCS 2025, 2025

2024

Relative molecule self-attention transformer.

Lukasz Maziarka, Dawid Majchrowski, Tomasz Danel, Piotr Gainski, Jacek Tabor, Igor T. Podolak, Pawel M. Morkisz, Stanislaw Jastrzebski

J. Cheminformatics, December, 2024

Feature-Based Interpolation and Geodesics in the Latent Spaces of Generative Models.

Lukasz Struski, Michal Sadowski, Tomasz Danel, Jacek Tabor, Igor T. Podolak

IEEE Trans. Neural Networks Learn. Syst., September, 2024

KinDEL: DNA-Encoded Library Dataset for Kinase Inhibitors.

Benson Chen, Tomasz Danel, Patrick J. McEnaney, Nikhil Jain, Kirill Novikov, Spurti Umesh Akki, Joshua L. Turnbull, Virja Atul Pandya, Boris P. Belotserkovskii, Jared Bryce Weaver, Ankita Biswas, Dat Nguyen, Gabriel H. S. Dreiman, Mohammad Sultan, Nathaniel Stanley, Daniel M. Whalen, Divya Kanichar, Christoph Klein, Emily Fox, Edward Raff

CoRR, 2024

2023

Extended study on atomic featurization in graph neural networks for molecular property prediction.

Agnieszka Wojtuch, Tomasz Danel, Sabina Podlewska, Lukasz Maziarka

J. Cheminformatics, December, 2023

Generative Models Should at Least Be Able to Design Molecules That Dock Well: A New Benchmark.

Tobiasz Cieplinski, Tomasz Danel, Sabina Podlewska, Stanislaw Jastrzebski

J. Chem. Inf. Model., June, 2023

Docking-based generative approaches in the search for new drug candidates.

Tomasz Danel, Jan Leski, Sabina Podlewska, Igor T. Podolak

CoRR, 2023

SONGs: Self-Organizing Neural Graphs.

Lukasz Struski, Tomasz Danel, Marek Smieja, Jacek Tabor, Bartosz Zielinski

Proceedings of the IEEE/CVF Winter Conference on Applications of Computer Vision, 2023

ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction.

Dawid Rymarczyk, Daniel Dobrowolski, Tomasz Danel

Proceedings of the 2023 SIAM International Conference on Data Mining, 2023

2022

HuggingMolecules: An Open-Source Library for Transformer-Based Molecular Property Prediction (Student Abstract).

Piotr Gainski, Lukasz Maziarka, Tomasz Danel, Stanislaw Jastrzebski

Proceedings of the Thirty-Sixth AAAI Conference on Artificial Intelligence, 2022

2021

SONG: Self-Organizing Neural Graphs.

Lukasz Struski, Tomasz Danel, Marek Smieja, Jacek Tabor, Bartosz Zielinski

CoRR, 2021

Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction.

Agnieszka Pocha, Tomasz Danel, Sabina Podlewska, Jacek Tabor, Lukasz Maziarka

Proceedings of the International Joint Conference on Neural Networks, 2021

Multitask Learning Using BERT with Task-Embedded Attention.

Lukasz Maziarka, Tomasz Danel

Proceedings of the International Joint Conference on Neural Networks, 2021

2020

Mol-CycleGAN: a generative model for molecular optimization.

Lukasz Maziarka, Agnieszka Pocha, Jan Kaczmarczyk, Krzysztof Rataj, Tomasz Danel, Michal Warchol

J. Cheminformatics, 2020

Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction.

Agnieszka Pocha, Tomasz Danel, Lukasz Maziarka

CoRR, 2020

We should at least be able to Design Molecules that Dock Well.

Tobiasz Cieplinski, Tomasz Danel, Sabina Podlewska, Stanislaw Jastrzebski

CoRR, 2020

Molecule Attention Transformer.

Lukasz Maziarka, Tomasz Danel, Slawomir Mucha, Krzysztof Rataj, Jacek Tabor, Stanislaw Jastrzebski

CoRR, 2020

Spatial Graph Convolutional Networks.

Tomasz Danel, Przemyslaw Spurek, Jacek Tabor, Marek Smieja, Lukasz Struski, Agnieszka Slowik, Lukasz Maziarka

Proceedings of the Neural Information Processing - 27th International Conference, 2020

Processing of Incomplete Images by (Graph) Convolutional Neural Networks.

Tomasz Danel, Marek Smieja, Lukasz Struski, Przemyslaw Spurek, Lukasz Maziarka

Proceedings of the Neural Information Processing - 27th International Conference, 2020

2019

Geometric Graph Convolutional Neural Networks.

Przemyslaw Spurek, Tomasz Danel, Jacek Tabor, Marek Smieja, Lukasz Struski, Agnieszka Slowik, Lukasz Maziarka

CoRR, 2019