TABLE 1.
Summary of PDBbind datasets used in the present work
| Total # of complexes | Train set complexes | Test set complexes | |
|---|---|---|---|
| PDBbind v2007 benchmark | 1300 | 1105 | 195 |
| PDBbind v2013 benchmark | 3711 | 3516 | 195 |
| PDBbind v2016 benchmark | 4057 | 3767 | 290 |
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