skchem.data.downloaders.bradley_open_mp.
BradleyOpenMPDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['bradley_melting_point_dataset.xlsx']¶urls
= ['https://ndownloader.figshare.com/files/1503990']¶skchem.data.downloaders.bursi_ames.
BursiAmesDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['cas_4337.zip']¶urls
= ['http://cheminformatics.org/datasets/bursi/cas_4337.zip']¶# file title
Description
skchem.data.downloaders.diversity.
DiversityDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['structures.sdf']¶urls
= ['https://wiki.nci.nih.gov/download/attachments/160989212/Div3_2DStructures_Oct2014.sdf']¶skchem.data.downloaders.muller_ames.
MullerAmesDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['ci900161g_si_001.zip']¶urls
= ['https://ndownloader.figshare.com/files/4523278']¶skchem.data.downloaders.nmrshiftdb2.
NMRShiftDB2Downloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['nmrshiftdb2.sdf']¶urls
= ['https://sourceforge.net/p/nmrshiftdb2/code/HEAD/tree/trunk/snapshots/nmrshiftdb2withsignals.sd?format=raw']¶skchem.data.downloaders.physprop.
PhysPropDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['phys_sdf.zip', 'phys_txt.zip']¶urls
= ['http://esc.syrres.com/interkow/Download/phys_sdf.zip', 'http://esc.syrres.com/interkow/Download/phys_txt.zip']¶skchem.data.downloaders.tox21.
Tox21Downloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['train.sdf.zip', 'valid.sdf.zip', 'test.sdf.zip', 'test.txt']¶urls
= ['https://tripod.nih.gov/tox21/challenge/download?id=tox21_10k_data_allsdf', 'https://tripod.nih.gov/tox21/challenge/download?id=tox21_10k_challenge_testsdf', 'https://tripod.nih.gov/tox21/challenge/download?id=tox21_10k_challenge_scoresdf', 'https://tripod.nih.gov/tox21/challenge/download?id=tox21_10k_challenge_scoretxt']¶skchem.data.downloaders.
DiversityDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['structures.sdf']¶urls
= ['https://wiki.nci.nih.gov/download/attachments/160989212/Div3_2DStructures_Oct2014.sdf']¶skchem.data.downloaders.
ChEMBLDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['chembl_raw.h5']¶urls
= []¶skchem.data.downloaders.
BursiAmesDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['cas_4337.zip']¶urls
= ['http://cheminformatics.org/datasets/bursi/cas_4337.zip']¶skchem.data.downloaders.
MullerAmesDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['ci900161g_si_001.zip']¶urls
= ['https://ndownloader.figshare.com/files/4523278']¶skchem.data.downloaders.
Tox21Downloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['train.sdf.zip', 'valid.sdf.zip', 'test.sdf.zip', 'test.txt']¶urls
= ['https://tripod.nih.gov/tox21/challenge/download?id=tox21_10k_data_allsdf', 'https://tripod.nih.gov/tox21/challenge/download?id=tox21_10k_challenge_testsdf', 'https://tripod.nih.gov/tox21/challenge/download?id=tox21_10k_challenge_scoresdf', 'https://tripod.nih.gov/tox21/challenge/download?id=tox21_10k_challenge_scoretxt']¶skchem.data.downloaders.
NMRShiftDB2Downloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['nmrshiftdb2.sdf']¶urls
= ['https://sourceforge.net/p/nmrshiftdb2/code/HEAD/tree/trunk/snapshots/nmrshiftdb2withsignals.sd?format=raw']¶skchem.data.downloaders.
PhysPropDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['phys_sdf.zip', 'phys_txt.zip']¶urls
= ['http://esc.syrres.com/interkow/Download/phys_sdf.zip', 'http://esc.syrres.com/interkow/Download/phys_txt.zip']¶skchem.data.downloaders.
BradleyOpenMPDownloader
[source]¶Bases: skchem.data.downloaders.base.Downloader
filenames
= ['bradley_melting_point_dataset.xlsx']¶urls
= ['https://ndownloader.figshare.com/files/1503990']¶