DrugGen 2: A disease-aware language model for enhancing drug discovery
DrugGen-2 generates small molecules conditioned on disease ontology and target protein sequences through fine-tuning GPT-2 with supervised learning and reinforcement learning using…
Hugging Face · Daily Papers
·Ali Motahharynia, Mohammadreza Ghaffarzadeh-Esfahani
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·▲ 1 upvotes
Este artigo está em destaque na seleção diária de papers do Hugging Face, curada pela comunidade de pesquisa em IA.
Autores: Ali Motahharynia, Mohammadreza Ghaffarzadeh-Esfahani, Mahsa Sheikholeslami, Navid Mazrouei, Matin Irajpour, Yousof Gheisari
- 1 upvotes da comunidade
- Temas: GPT-2, supervised fine-tuning, reinforcement learning, group relative policy optimization, chemical validity, molecular generation
Resumo
Resumo original (em inglês), extraído do paper:
DrugGen-2 generates small molecules conditioned on disease ontology and target protein sequences through fine-tuning GPT-2 with supervised learning and reinforcement learning using GRPO, achieving superior molecular diversity and binding affinity compared to baseline models.Onde ler
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