PLINDER: The protein-ligand interactions dataset and evaluation resource
Janani Durairaj, Yusuf O. Adeshina, Zhonglin Cao, Xuejin Zhang, Vladimiras Oleinikovas, Thomas J. Duignan, Zachary D. McClure, Xavier Robin, Gabriel Studer, Daniel Kovtun, Emanuele Rossi, Guoqing Zhou, Srimukh Prasad Veccham, Clemens Isert, Yuxing Peng, , Luca Naef
PLINDER provides a large, annotated PLI dataset with diverse annotations and improved evaluation splits to better assess computational methods for drug design.
bioRxiv · Jul 17, 2024 · PreprintBiochemistry