| Relative molecule self-attention transformer Ł Maziarka, D Majchrowski, T Danel, P Gaiński, J Tabor, I Podolak, ... Journal of Cheminformatics 16 (1), 3, 2024 | 58 | 2024 |
| Re-evaluating retrosynthesis algorithms with syntheseus K Maziarz, A Tripp, G Liu, M Stanley, S Xie, P Gaiński, P Seidl, ... Faraday Discussions 256, 568-586, 2025 | 56 | 2025 |
| Rgfn: Synthesizable molecular generation using gflownets M Koziarski, A Rekesh, D Shevchuk, A van der Sloot, P Gaiński, Y Bengio, ... Advances in Neural Information Processing Systems 37, 46908-46955, 2024 | 37 | 2024 |
| Chienn: Embracing molecular chirality with graph neural networks P Gaiński, M Koziarski, J Tabor, M Śmieja Joint European Conference on Machine Learning and Knowledge Discovery in …, 2023 | 17 | 2023 |
| Diverse and feasible retrosynthesis using GFlowNets P Gaiński, M Koziarski, K Maziarz, M Segler, J Tabor, M Śmieja Information Sciences 714, 122194, 2025 | 10* | 2025 |
| Step by Step Loss Goes Very Far: Multi-Step Quantization for Adversarial Text Attacks P Gaiński, K Bałazy Proceedings of the 17th Conference of the European Chapter of the …, 2023 | 10 | 2023 |
| Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases K Maziarz, G Liu, H Misztela, A Kornev, P Gaiński, H Hoefling, ... arXiv preprint arXiv:2412.05269, 2024 | 6 | 2024 |
| Scalable and cost-efficient de novo template-based molecular generation P Gaiński, O Boussif, A Rekesh, D Shevchuk, A Parviz, M Tyers, RA Batey, ... arXiv preprint arXiv:2506.19865, 2025 | 3 | 2025 |
| HuggingMolecules: An Open-Source library for Transformer-Based molecular property prediction (student abstract) P Gaiński, Ł Maziarka, T Danel, S Jastrzebski Proceedings of the AAAI Conference on Artificial Intelligence 36 (11), 12949 …, 2022 | 3 | 2022 |
| Torsional-GFN: a conditional conformation generator for small molecules A Volokhova, LN Ezzine, P Gaiński, L Scimeca, E Bengio, P Tossou, ... arXiv preprint arXiv:2507.11759, 2025 | 1 | 2025 |
| Multimodal Approach to MoA Prediction Based on Cell Painting Imaging and Chemical Structure Data M Koziarski, P Gaiński, K Rataj, A Borowa, K Wójtowicz, J Gwóźdź, ... ELRIG, 2022 | 1 | 2022 |
| Chemist-aligned retrosynthesis by ensembling diverse inductive bias models K Maziarz, G Liu, A Tripp, J Li, P Gaiński, M Segler NeurIPS 2025 AI for Science Workshop, 0 | | |
| Torsional-GFN: a conditional conformation generator for small molecules LN Ezzine, A Volokhova, P Gaiński, L Scimeca, E Bengio, P Tossou, ... ICML 2025 Generative AI and Biology (GenBio) Workshop, 0 | | |
| Integrating Cheminformatics and Phenotypic Screening: A Novel Approach for Enhanced Mode of Action Prediction M Koziarski, P Gaiński, K Rataj, A Borowa, K Wójtowicz, J Gwóźdź, ... | | |
