Command Line Interface
smartclass automatically installs the command smartclass.
See smartclass --help for usage details.
smartclass
CLI for smartclass.
smartclass [OPTIONS] COMMAND [ARGS]...
Options
- --version
Show the version and exit.
combinecsvfiles
CLI command that calls combine_csv_files function.
smartclass combinecsvfiles [OPTIONS]
Options
- -i, --input-file <input_file>
Required Input file.
- -o, --output <output>
Required Output file.
getlatestchembl
CLI command that calls get_latest_chembl function.
smartclass getlatestchembl [OPTIONS]
Options
- -f, --fp-len <fp_len>
Fingerprints length.
- -m, --max-atoms <max_atoms>
Maximum number of atoms.
- -r, --report-interval <report_interval>
Reporting interval.
- -t, --tautomer-fingerprints <tautomer_fingerprints>
Tautomers fingerprints.
loadpkgdata
CLI command that calls load_pkg_data function.
smartclass loadpkgdata [OPTIONS]
querywikidata
CLI command that calls query_wikidata function.
smartclass querywikidata [OPTIONS]
Options
- -q, --query <query>
Required SPARQL query file path or URL.
- -o, --output <output>
Required Output file.
- -r, --remove_prefix <remove_prefix>
Remove prefix.
- -t, --transform <transform>
Transform to apply.
- -u, --url <url>
URL of the endpoint.
searchclasses
CLI command that calls search_classes function.
smartclass searchclasses [OPTIONS]
Options
- -c, --classes-file <classes_file>
Input file (classes).
- -d, --classes-name-id <classes_name_id>
Name of the ID column in the classes file.
- -e, --classes-name-smarts <classes_name_smarts>
Name of the SMARTS column in the classes file.
- -f, --include-hierarchy <include_hierarchy>
Use a chemical hierarchy to go faster.
- -i, --input-smiles <input_smiles>
Input file (SMILES).
- -s, --smiles <smiles>
(List of) SMILES string(s)
- -z, --closest-only <closest_only>
Return closest only.
- -v, --verbose