chemicalchecker.util.parser.data_calculator.DataCalculator

class DataCalculator[source]

Bases: object

DataCalculator class.

Methods

`calc_fn`	Serve a calc function.
`chembl_target_predictions_v23_10um`
`e3fp_3conf_1024`
`general_physchem_properties`
`maccs_keys_166`
`morgan_fp_r2_2048`
`murcko_1024_cframe_1024`