AI-guided competitive docking for virtual screening and compound efficacy prediction

Author : Manon Mirgaux, Valeria Barcelli, Adeline C.Y. Chua, Pablo Bifani, René Wintjens This dataset includes the complex models produced by diffusion-based tools (AlphaFold3, Boltz-1, and Boltz-2), together with all analysis scripts, intermediate data, and results used across the protein benchmark set. The data is licensed under the respective terms-of-use and data usage agreements (when applicable). Please consult the terms before downloading or otherwise using the data.