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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

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Morgan Alexander

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#graph neural networks Open access Oct 2026

PolyNet: A Python Package for Polymer Informatics

PolyNet is a Python package for polymer property prediction from (P)SMILES of homopolymers and copolymers. It trains graph neural networks and traditional machine-learning models on repeated train/validation/test splits, compares them statistically, explains their predictions (GNN fragment masking and SHAP), and predic...

Eduardo Aguilar-Bejarano, Morgan Alexander, David Alan Winkler et al. · 0 citations

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