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2020 – today
- 2026
[i10]Jon M. Laurent, Albert Bou, Michael Pieler, Conor Igoe, Alex Andonian, Siddharth Narayanan, James D. Braza, Alexandros Sanchez Vassopoulos, Jacob L. Steenwyk, Blake Lash, Andrew D. White, Samuel G. Rodriques:
LABBench2: An Improved Benchmark for AI Systems Performing Biology Research. CoRR abs/2604.09554 (2026)- 2025
- [j3]Morgan C. Thomas
, Albert Bou, José Carlos Gómez-Tamayo, Gary Tresadern, Mazen Ahmad, Gianni De Fabritiis:
REINFORCE-ING Chemical Language Models for Drug Discovery. J. Chem. Inf. Model. 65(23): 12752-12763 (2025) - [j2]Morgan C. Thomas, Albert Bou, Gianni De Fabritiis:
Test-Time Training Scaling Laws for Chemical Exploration in Drug Design. J. Chem. Inf. Model. 65(24): 13178-13186 (2025) - [i9]Morgan C. Thomas, Albert Bou, Gianni De Fabritiis:
REINFORCE-ING Chemical Language Models in Drug Design. CoRR abs/2501.15971 (2025) - [i8]Morgan C. Thomas, Albert Bou, Gianni De Fabritiis:
Test-Time Training Scaling for Chemical Exploration in Drug Design. CoRR abs/2501.19153 (2025) - [i7]Siddharth Narayanan, James D. Braza, Ryan-Rhys Griffiths, Albert Bou, Geemi P. Wellawatte, Mayk Caldas Ramos, Ludovico Mitchener, Samuel G. Rodriques, Andrew D. White:
Training a Scientific Reasoning Model for Chemistry. CoRR abs/2506.17238 (2025) - [i6]Ludovico Mitchener, Angela Yiu, Benjamin Chang, Mathieu Bourdenx, Tyler Nadolski, Arvis Sulovari, Eric C. Landsness, Daniel L. Barabasi, Siddharth Narayanan, Nicky Evans, Shriya Reddy, Martha Foiani, Aizad Kamal, Leah P. Shriver, Fang Cao, Asmamaw T. Wassie, Jon M. Laurent, Edwin Melville-Green, Mayk Caldas Ramos, Albert Bou, Kaleigh F. Roberts, Sladjana Zagorac, Timothy C. Orr, Miranda E. Orr, Kevin J. Zwezdaryk, Ali Essa Ghareeb, Laurie McCoy, Bruna Gomes, Euan A. Ashley, Karen E. Duff, Tonio Buonassisi, Tom Rainforth, Randall J. Bateman, Michael D. Skarlinski, Samuel G. Rodriques, Michaela M. Hinks, Andrew D. White:
Kosmos: An AI Scientist for Autonomous Discovery. CoRR abs/2511.02824 (2025) - 2024
- [j1]Albert Bou, Morgan C. Thomas, Sebastian Dittert, Carles Navarro, Maciej Majewski, Ye Wang, Shivam Patel, Gary Tresadern, Mazen Ahmad, Vincent Moens, Woody Sherman, Simone Sciabola, Gianni De Fabritiis:
ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery. J. Chem. Inf. Model. 64(15): 5900-5911 (2024) - [c1]Albert Bou, Matteo Bettini, Sebastian Dittert, Vikash Kumar, Shagun Sodhani, Xiaomeng Yang, Gianni De Fabritiis, Vincent Moens:
TorchRL: A data-driven decision-making library for PyTorch. ICLR 2024 - [i5]Albert Bou, Morgan C. Thomas, Sebastian Dittert, Carles Navarro Ramírez, Maciej Majewski, Ye Wang, Shivam Patel, Gary Tresadern, Mazen Ahmad, Vincent Moens, Woody Sherman, Simone Sciabola, Gianni De Fabritiis:
ACEGEN: Reinforcement learning of generative chemical agents for drug discovery. CoRR abs/2405.04657 (2024) - [i4]Nikolai Schapin, Carles Navarro, Albert Bou, Gianni De Fabritiis:
On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction. CoRR abs/2407.19073 (2024) - [i3]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:
Aviary: training language agents on challenging scientific tasks. CoRR abs/2412.21154 (2024) - 2023
- [i2]Albert Bou, Matteo Bettini, Sebastian Dittert, Vikash Kumar, Shagun Sodhani, Xiaomeng Yang, Gianni De Fabritiis, Vincent Moens:
TorchRL: A data-driven decision-making library for PyTorch. CoRR abs/2306.00577 (2023) - 2020
- [i1]Albert Bou, Gianni De Fabritiis:
NAPPO: Modular and scalable reinforcement learning in pytorch. CoRR abs/2007.02622 (2020)
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