DrugGPT: A GPT-based Strategy for Designing Potential Ligands Targeting Specific Proteins
Yuesen Li, Chengyi Gao, Xin Gang Song, Wang Xiangyu, Yungang Xu, Suxia Han
A GPT-2 retrained from scratch on protein-ligand binding data, with a BPE tokenizer redesigned for proteins and ligands, is proposed for generating ligands against a target protein.
bioRxiv · Jun 29, 2023 · PreprintBioinformatics