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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

Yingze Wang

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2 papers indexed here

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Open access Aug 2026

LinkLlama: Enabling a Large Language Model for Chemically Reasonable Linker Design.

Fragment-based drug discovery (FBDD) relies heavily on the design of chemically viable linkers to connect fragments binding to different pocket regions into potent lead molecules. While recent generative models have advanced spatial fragment linking, they frequently produce linkers characterized by high torsional strai...

Kun-Yang Sun, Ying-Ze Wang, Justin Purnomo et al. · 0 citations
Open access Jul 2026

TorchFF: A high-performance GPU-accelerated differentiable force field library.

Molecular dynamics (MD) and the development of next-generation force fields increasingly rely on automatic differentiation for efficient simulated property prediction and parameter optimization. However, standard FFs and machine learning frameworks often suffer from significant performance bottlenecks-such as kernel la...

Yingze Wang, Aalim S Abdullah, Rohith Srinivaas Mohanakrishnan et al. · 0 citations

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