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configs.json
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{
"chembl": "./data/corpora/chembl23.smiles",
"smiles_bpe": "./data/bpe/chembl23_20K",
"lingo2vec": "./data/embeddings/chembl_lingo_embeddings",
"bpe2vec": "./data/embeddings/chembl23_bpe_20K",
"prot2vec": "./data/embeddings/protVec",
"sb_bindingdb_path": "./data/sb_interactions_bindingdb.csv",
"bdb_sb_threshold": 7,
"bdb_folds": "./data/bdb/train_folds/",
"bdb_train": "./data/bdb/train.csv",
"bdb_test": "./data/bdb/test.csv",
"bdb_ligands": "./data/bdb/ligands.json",
"bdb_proteins": "./data/bdb/proteins.json",
"bdb_prot_sim": "./data/bdb/sw_sim_vectors.json",
"bdb_prot_sim_matrix": "./data/bdb/sw_sim_matrix.csv",
"kiba_sb_threshold": 12.1,
"kiba_folds": "./data/kiba/train_folds/",
"kiba_train": "./data/kiba/train.csv",
"kiba_test": "./data/kiba/test.csv",
"kiba_ligands": "./data/kiba/ligands.json",
"kiba_proteins": "./data/kiba/proteins.json",
"kiba_prot_sim": "./data/kiba/sw_sim_vectors.json",
"kiba_prot_sim_matrix": "./data/kiba/sw_sim_matrix.csv"
}