Due to the size of the parametric models and matched molecular pairs databases, the contents of the _shared folder are not provided in this repository.
Generally, these files/folders are required:
p_cddd/: Parameters of the CDDD model (download from https://github.com/jrwnter/cddd#downloading-pretrained-model)chembl_cddd.npz: Precomputed CDDD representations for a subset of ChEMBLchembl.fragmentsandchembl.mmpdb: MMPDB fragments and index of ChEMBL subset