skchem.data package¶

Subpackages¶

Module contents¶

skchem.data

Module for handling data. Data can be accessed using the resource function.

class skchem.data.Diversity(**kwargs)[source]¶

Bases: skchem.data.datasets.base.Dataset

Example dataset, the NCI DTP Diversity Set III.

converter¶

alias of DiversityConverter

downloader¶

alias of DiversityDownloader

filename = 'diversity.h5'¶

class skchem.data.BursiAmes(**kwargs)[source]¶

Bases: skchem.data.datasets.base.Dataset

converter¶

alias of BursiAmesConverter

downloader¶

alias of BursiAmesDownloader

filename = 'bursi_ames.h5'¶

class skchem.data.MullerAmes(**kwargs)[source]¶

Bases: skchem.data.datasets.base.Dataset

converter¶

alias of MullerAmesConverter

downloader¶

alias of MullerAmesDownloader

filename = 'muller_ames.h5'¶

class skchem.data.PhysProp(**kwargs)[source]¶

Bases: skchem.data.datasets.base.Dataset

converter¶

alias of PhysPropConverter

downloader¶

alias of PhysPropDownloader

filename = 'physprop.h5'¶

class skchem.data.BradleyOpenMP(**kwargs)[source]¶

Bases: skchem.data.datasets.base.Dataset

converter¶

alias of BradleyOpenMPConverter

downloader¶

alias of BradleyOpenMPDownloader

filename = 'bradley_open_mp.h5'¶

class skchem.data.NMRShiftDB2(**kwargs)[source]¶

Bases: skchem.data.datasets.base.Dataset

converter¶

alias of NMRShiftDB2Converter

downloader¶

alias of NMRShiftDB2Downloader

filename = 'nmrshiftdb2.h5'¶

class skchem.data.Tox21(**kwargs)[source]¶

Bases: skchem.data.datasets.base.Dataset

converter¶

alias of Tox21Converter

downloader¶

alias of Tox21Downloader

filename = 'tox21.h5'¶

class skchem.data.ChEMBL(**kwargs)[source]¶

Bases: skchem.data.datasets.base.Dataset

converter¶

alias of ChEMBLConverter

downloader¶

alias of ChEMBLDownloader

filename = 'chembl.h5'¶