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Improving generalisability of 3D binding affinity models in low data regimes

<p>Structures of the PDBBind dataset (general protein-ligand) prepared with CCDC protein preparation software. After preparation, 18310 structures out of the total 19443 remained (1133 failed).</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
20
Reuse readiness
8
Engagement
0