API for bachi55/rcdkTools
rcdkTools
| Global functions | |
|---|---|
| binary_maccs_pattern | Man page |
| calculate_descriptor_from_inchi | Man page Source code |
| calculate_descriptor_from_smiles | Man page Source code |
| calculate_fingerprints_from_inchi | Man page Source code |
| calculate_fingerprints_from_smiles | Man page Source code |
| count_maccs_pattern | Man page |
| descriptors_to_matrix | Man page |
| fingerprints_to_matrix | Man page |
| fp3_obabel_pattern | Man page |
| get_count_fingerprint_mask | Man page |
| get_descriptor_meta_data | Man page Source code |
| get_fingerprint_dimensions | Man page |
| get_fingerprint_mask | Man page |
| hashed_fp.to.matrix | Source code |
| inchi2smiles | Man page Source code |
| logp_obabel_pattern | Man page |
| setdiff_fingerprints | Man page |
| write_fingerprint_mask_to_csv_file | Man page Source code |
| write_fingerprint_to_csv_file | Man page |
| write_fingerprint_to_json_file | Man page |
