PDBBind
The PDBbind database is a comprehensive collection of experimentally measured binding affinity data (Kd, Ki, and IC50) for the protein-ligand complexes deposited in the Protein Data Bank (PDB). It thus provides a link between energetic and structural information of protein-ligand complexes, which is of great value to various studies on molecular recognition occurring in biological systems.
Benchmarks
| Trend | Task | Dataset Variant | Best Model | Paper | Code |
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PDBBind
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DIFFDOCK
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PDBbind
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PLAPT
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PDBbind
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DIFFDOCK
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PDBbind
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Ensemble locally constant networks
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Papers
| Paper | Code | Results | Date | Stars |
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