Recently, Large Language Models (LLMs) have become the dominant paradigm for molecular editing due to their strong generalization capabilities across diverse tasks. However, treating molecules as 1D text strings (SMILES) introduces significant challenges in controllability and structural validity. In this paper, we que...
Jiajun Yu, Zhihao Wu, Yizhen Zheng et al.· Proceedings of the 32nd ACM...· 0 citations
This work proposes a Protein sequence–structure–function Consistency Design model empowered by Natural Language function description, dubbed ProtcdNl, which expands the protein design space and ensures alignment with function-aware framework, achieving the design of novel, diverse proteins with high functional fidelity...
Ming Yang, Xin Zheng, Yi Li et al.· Proceedings of the 32nd ACM...· 0 citations
This paper proposes UniEdit, a Unified Graph-based Mixture-of-Experts (MoE) Molecular Editing model that offers a robust alternative to LLMs and incorporates a Mixture-of-Experts architecture that dynamically routes tasks to specialized components.
Jiajun Yu, Zhihao Wu, Yizhen Zheng et al.· Proceedings of the 32nd ACM...· 0 citations
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