Files in ceparman/mongochem

CreateSets/Drug_Bank/loadDrugBank.R CreateSets/Drug_Bank2/load_drugbank_dowloads.R CreateSets/Drug_Bank2/rcdk_create.R R/Create_dB.R R/create_pubchem_sdf_set.R R/load_molecule_collection.R R/load_pubchem_sdf.R R/load_smile.R R/mol2sdf.R R/mol2text.R R/plot_molecule.R R/register_pubchem.R R/smiles_similarity_search.R R/smiles_substructure_search.R R/update_mfp_counts.R R/upsert_count.R R/val_doc.R man/smiles_similarity_search.Rd tests/testthat.R tests/testthat/test-sim.R tests/testthat/test-smiles_search.R