whyzhow / Kaggle-NeurIPS---Open-Polymer-Prediction-2025-Silver-Algorithm-OverviewView on GitHub
Filter the R-group and suspicious patterns in the polymer notation, use RDKit for parsability verification and unified conversion on this basis, add multi-source external data, grouping and mean aggregation with cS as the key to de-weight, multi-view GNN, CatBoost, XGboost modelling, using linear weighting for model fusion
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