Published September 12, 2024
| Version v1
Dataset
Restricted
Improving generalisability of 3D binding affinity models in low data regimes
Authors/Creators
Description
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).
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Additional details
Software
- Repository URL
- https://github.com/Exscientia/low-sim-pdbbind
- Programming language
- Python