Vertex balanced dataset (protein ligand-binding sites)

Vertex balanced dataset. This dataset consists in 676 pairs of binding-sites (338 similar pairs, 338 dissimilar pairs). The original Vertex dataset was describbed in (but is not downloadable from): --- Chen, Y. C., Tolbert, R., Aronov, A. M., McGaughey, G., Walters, W. P., & Meireles, L. (2016). Prediction of protein pairs sharing common active ligands using protein sequence, structure, and ligand similarity. Journal of chemical information and modeling, 56(9), 1734-1745. https://doi.org/10.1021/acs.jcim.6b00118 --- Its balanced version was recently describbed in (but is not downloadable from): --- Eguida, M., & Rognan, D. (2020). A computer vision approach to align and compare protein cavities: application to fragment-based drug design. Journal of Medicinal Chemistry, 63(13), 7127-7142. https://doi.org/10.1021/acs.jmedchem.0c00422 ---