NAPPO: Modular and scalable reinforcement learning in pytorch. - Albert Bou; Gianni De Fabritiis (CoRR, 2020)

TorchRL: A data-driven decision-making library for PyTorch. - Albert Bou; Matteo Bettini; Sebastian Dittert; Vikash Kumar; Shagun Sodhani; Xiaomeng Yang; Gianni De Fabritiis; Vincent Moens (ICLR, 2024)

On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction. - Nikolai Schapin; Carles Navarro; Albert Bou; Gianni De Fabritiis (CoRR, 2024)

Aviary: training language agents on challenging scientific tasks. - Siddharth Narayanan; James D. Braza; Ryan-Rhys Griffiths; Manvitha Ponnapati; Albert Bou; Jon M. Laurent; Ori Kabeli; Geemi P. Wellawatte; Sam Cox; Samuel G. Rodriques; Andrew D. White (CoRR, 2024)

ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery. - Albert Bou; Morgan Thomas; Sebastian Dittert; Carles Navarro; Maciej Majewski; Ye Wang 024; Shivam Patel; Gary Tresadern; Mazen Ahmad; Vincent Moens; Woody Sherman; Simone Sciabola; et al. (J. Chem. Inf. Model., 2024)

REINFORCE-ING Chemical Language Models in Drug Design. - Morgan Thomas; Albert Bou; Gianni De Fabritiis (CoRR, 2025)

Test-Time Training Scaling for Chemical Exploration in Drug Design. - Morgan Thomas; Albert Bou; Gianni De Fabritiis (CoRR, 2025)

Training a Scientific Reasoning Model for Chemistry. - Siddharth Narayanan; James D. Braza; Ryan-Rhys Griffiths; Albert Bou; Geemi P. Wellawatte; Mayk Caldas Ramos; Ludovico Mitchener; Samuel G. Rodriques; Andrew D. White (CoRR, 2025)