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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

Zhichun Guo

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Book Open access May 2025

ChemHGNN: A Hierarchical Hypergraph Neural Network for Reaction Virtual Screening and Discovery

This work introduces a reaction center-aware negative sampling strategy (RCNS) and a hierarchical embedding approach combining molecule, reaction and hypergraph level features, establishing ChemHGNN as a superior alternative for reaction virtual screening and discovery.

Xiaobao Huang, Yi-Hong Ma, Anjali Gurajapu et al. · 1 citation

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