- Article
cMolGPT: A Conditional Generative Pre-Trained Transformer for Target-Specific De Novo Molecular Generation
- Ye Wang,
- Honggang Zhao,
- Simone Sciabola and
- Wenlu Wang
Deep generative models applied to the generation of novel compounds in small-molecule drug design have attracted a lot of attention in recent years. To design compounds that interact with specific target proteins, we propose a Generative Pre-Trained...