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Author

Haoyang Liu

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Jul 2026

Tightly coupled equivariant flow matching for molecular docking with multimodal physical constraints.

The proposed MPFDock is a tightly coupled equivariant flow matching method for molecular docking guided by multimodal physical constraints in Cartesian space that consistently outperforms existing methods in terms of docking accuracy and physical realism on the evaluated benchmarks.

Zhiguang Fan, Xiang Li, Haoyang Liu et al. · 0 citations
Aug 2026

Speaking the Native Language of LLMs: A Discrete Architecture for Molecular Comprehension.

MolLingua, a token-centric, dual-modal framework designed for native molecular understanding, uses a dual-branch Residual Vector Quantization engine to discretize heterogeneous, high-dimensional spatial 2D and 3D features into compact code sequences rather than relying solely on continuous projections.

Haoyang Liu, Xikang Feng, Fei Guo et al. · 0 citations

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