Files in bachi55/rcdkTools
rcdkTools
.gitignore
DESCRIPTION
LICENSE
NAMESPACE
R/data.R
R/descriptor_tools.R
R/fingerprint_tools.R
R/misc.R
README.md
data/binary_maccs_pattern.rda
data/count_maccs_pattern.rda
data/fp3_obabel_pattern.rda
data/logp_obabel_pattern.rda
man/binary_maccs_pattern.Rd
man/calculate_descriptor_from_inchi.Rd
man/calculate_descriptor_from_smiles.Rd
man/calculate_fingerprints_from_inchi.Rd
man/calculate_fingerprints_from_smiles.Rd
man/count_maccs_pattern.Rd
man/descriptors_to_matrix.Rd
man/fingerprints_to_matrix.Rd
man/fp3_obabel_pattern.Rd
man/get_count_fingerprint_mask.Rd
man/get_descriptor_meta_data.Rd
man/get_fingerprint_dimensions.Rd
man/get_fingerprint_mask.Rd
man/inchi2smiles.Rd
man/logp_obabel_pattern.Rd
man/setdiff_fingerprints.Rd
man/write_fingerprint_mask_to_csv_file.Rd
man/write_fingerprint_to_csv_file.Rd
man/write_fingerprint_to_json_file.Rd
tests/testthat/test_desc.R
tests/testthat/test_mol_conf_for_fps.R
tests/testthat/testthat.R
