Welcome to PoseBench’s documentation!¶ Comprehensive benchmarking of protein-ligand structure generation methods Contents: Installation Portable installation Full installation Tutorials How to prepare PoseBench data Downloading Astex, PoseBusters, DockGen, and CASP15 data Downloading benchmark method predictions Downloading sequence databases (required only for RoseTTAFold-All-Atom inference) Predicting apo protein structures using ESMFold (optional, preprocessed data available) Available inference methods Methods available individually Methods available for ensembling How to run inference with individual methods How to run inference with DiffDock How to run inference with FABind How to run inference with DynamicBind How to run inference with NeuralPLexer How to run inference with RoseTTAFold-All-Atom How to run inference with AutoDock Vina How to run inference with TULIP How to run inference with a method ensemble How to create comparative plots of inference results For developers Dependency management Code formatting Documentation Acknowledgements Citing this work Bonus Indices and tables¶ Index Module Index Search Page
