AI4PD/Mol2Pro-Binder-Dataset

Binder-Dataset as defined in Generalise or Memorise? Benchmarking Ligand-Conditioned Protein Generation from Sequence-Only Data

Our dataset is curated from the following sources:

• BindingDB (Liu et al., 2025)
• Drug Target Commons (DTC) (Tanoli et al., 2018)
• AlphaFill (Hekkelman et al., 2023)
• BioLiP (Yang et al., 2012)

Citation

If you find this work useful, please cite:

@article{VicenteSola2026Generalise,
  title   = {Generalise or Memorise? Benchmarking Ligand-Conditioned Protein Generation from Sequence-Only Data},
  author  = {Vicente-Sola, Alex and Dornfeld, Lars and Coines, Joan and Ferruz, Noelia},
  journal = {bioRxiv},
  year    = {2026},
  doi     = {10.64898/2026.02.06.704305},
}