BioinformaticsbioRxivPreprint
ProLigGPT: a language model for protein-targeted ligand design free from structural constraints
Yuesen Li, Chengyi Gao, Xin Gang Song…·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.
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