KPC-2 / OXA-48 Dataset, Pocket–Ligand Graphs and Baseline Model
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资源简介：
This deposition contains extracted binding pockets, ligand graphs, PyTorch Geometric dataset pairs, automated and manual activity label assignments, and training scripts for KPC-2 / OXA-48 inhibitor modeling.
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Zenodo创建时间：
2025-12-12
