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UMAP API

_shared Data

Due to the size of the parametric models, the contents of the _shared folder are not provided in this repository. Generally, these files/folders are required:

  • p_umap/: Parameters of the parametric UMAP model
  • p_pca.joblib: Parameters of the parametric PCA model
  • chembl_cddd.npz: Precomputed CDDD representations for a subset of ChEMBL