HuggingMolecules: An Open-Source Library for Transformer-Based Molecular Property Prediction (Student Abstract). - Piotr Gainski; Lukasz Maziarka; Tomasz Danel; Stanislaw Jastrzebski (AAAI, 2022)

Step by Step Loss Goes Very Far: Multi-Step Quantization for Adversarial Text Attacks. - Piotr Gainski; Klaudia Balazy (EACL, 2023)

ChiENN: Embracing Molecular Chirality with Graph Neural Networks. - Piotr Gainski; Michal Koziarski; Jacek Tabor; Marek Smieja (ECML/PKDD (3), 2023)

Re-evaluating Retrosynthesis Algorithms with Syntheseus. - Krzysztof Maziarz; Austin Tripp; Guoqing Liu; Megan Stanley; Shufang Xie 003; Piotr Gainski; Philipp Seidl; Marwin H. S. Segler (CoRR, 2023)

RGFN: Synthesizable Molecular Generation Using GFlowNets. - Michal Koziarski; Andrei Rekesh; Dmytro Shevchuk; Almer van der Sloot; Piotr Gainski; Yoshua Bengio; Cheng-Hao Liu; Mike Tyers; Robert A. Batey (NeurIPS, 2024)

RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets. - Piotr Gainski; Michal Koziarski; Krzysztof Maziarz; Marwin H. S. Segler; Jacek Tabor; Marek Smieja (CoRR, 2024)

Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases. - Krzysztof Maziarz; Guoqing Liu; Hubert Misztela; Aleksei Kornev; Piotr Gainski; Holger Hoefling; Mike Fortunato; Rishi Gupta; Marwin H. S. Segler (CoRR, 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, 2024)

Diverse and feasible retrosynthesis using GFlowNets. - Piotr Gainski; Michal Koziarski; Krzysztof Maziarz; Marwin H. S. Segler; Jacek Tabor; Marek Smieja (Inf. Sci., 2025)

Scalable and Cost-Efficient de Novo Template-Based Molecular Generation. - Piotr Gainski; Oussama Boussif; Andrei Rekesh; Dmytro Shevchuk; Ali Parviz; Mike Tyers; Robert A. Batey; Michal Koziarski (CoRR, 2025)

Torsional-GFN: a conditional conformation generator for small molecules. - Alexandra Volokhova; Léna Néhale Ezzine; Piotr Gainski; Luca Scimeca; Emmanuel Bengio; Prudencio Tossou; Yoshua Bengio; Alex Hernández-García (CoRR, 2025)