Dataset | Hybrid Ligand- and Structure-Based Drug Design Invoked through Square Attention in Protein-Ligand Transformer.
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Training dataset used in our paper Hybrid Ligand- and Structure-Based Drug Design Invoked through Square Attention in Protein-Ligand Transformer. This contains two types of data: tables of affinities between the proteins and the ligands as true labels on the model training (*.txt). feature vectors from protein residues and ligand atoms used for the inputs on the model training and inference (*.joblib).
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Zenodo创建时间：
2026-02-09
