Download and extract the dataset as described by the authors of Pocket2Mol: https://github.com/pengxingang/Pocket2Mol/tree/main/dataProcess the raw data usingpython process_crossdock.py <crossdocked_dir> --no_HBinding MOADData preparationDownload the datasetwget http://www.bindingmoad.org/...
代码链接: https://github.com/arneschneuing/DiffSBDD
代码链接: https://github.com/arneschneuing/DiffSBDD