Morgan C. Thomas

According to our database, Morgan C. Thomas authored at least 12 papers between 2021 and 2025.

Collaborative distances:

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

2025

Test-Time Training Scaling for Chemical Exploration in Drug Design.

Morgan C. Thomas, Albert Bou, Gianni De Fabritiis

CoRR, January, 2025

REINFORCE-ING Chemical Language Models in Drug Design.

Morgan C. Thomas, Albert Bou, Gianni De Fabritiis

CoRR, January, 2025

REINFORCE-ING Chemical Language Models for Drug Discovery.

Morgan C. Thomas, Albert Bou, José Carlos Gómez-Tamayo, Gary Tresadern, Mazen Ahmad, Gianni De Fabritiis

J. Chem. Inf. Model., 2025

Test-Time Training Scaling Laws for Chemical Exploration in Drug Design.

Morgan C. Thomas, Albert Bou, Gianni De Fabritiis

J. Chem. Inf. Model., 2025

2024

MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design.

Morgan C. Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf

J. Cheminformatics, December, 2024

PromptSMILES: prompting for scaffold decoration and fragment linking in chemical language models.

Morgan C. Thomas, Mazen Ahmad, Gary Tresadern, Gianni De Fabritiis

J. Cheminformatics, December, 2024

Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential.

Sonja Peter, Lydia Siragusa, Morgan C. Thomas, Tommaso Palomba, Simon Cross, Noel M. O'Boyle, Dávid Bajusz, György G. Ferenczy, György M. Keserü, Giovanni Bottegoni, Brian Joseph Bender, I-Jen Chen, Chris de Graaf

J. Chem. Inf. Model., 2024

ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery.

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

J. Chem. Inf. Model., 2024

2023

On the difficulty of validating molecular generative models realistically: a case study on public and proprietary data.

Koichi Handa, Morgan C. Thomas, Michiharu Kageyama, Takeshi Iijima, Andreas Bender

J. Cheminformatics, December, 2023

2022

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation.

Morgan C. Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf

J. Cheminformatics, 2022

Re-evaluating sample efficiency in de novo molecule generation.

Morgan C. Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf

CoRR, 2022

2021

Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study.

Morgan C. Thomas, Robert T. Smith, Noel M. O'Boyle, Chris de Graaf, Andreas Bender

J. Cheminformatics, 2021