ChEMBL Downloader 0.4.6-dev Documentation
Installation
The most recent release can be installed from PyPI with:
$ pip install chembl_downloader
The most recent code and data can be installed directly from GitHub with:
$ pip install git+https://github.com/cthoyt/chembl-downloader.git
To install in development mode, use the following:
$ git clone git+https://github.com/cthoyt/chembl-downloader.git
$ cd chembl-downloader
$ pip install -e .
Usage
chembl_downloader.api Module
API for chembl_downloader
.
Functions
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Get the latest version of ChEMBL as a string. |
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Get all versions of ChEMBL. |
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Ensure the latest ChEMBL README. |
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Get the date of a given version. |
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Ensure the latest ChEMBL SQLite dump is downloaded. |
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Ensure the latest ChEMBL SQLite dump is downloaded and extracted. |
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Ensure and connect to the database. |
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Ensure, connect, and get a cursor from the database to the database. |
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Ensure the data is available, run the query, then put the results in a dataframe. |
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Ensure the latest ChEMBL SDF dump is downloaded. |
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Get a |
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Iterate over SMILES via RDKit. |
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Get the ChEMBL substructure library. |
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Ensure the latest ChEMBL chemical representations file is downloaded. |
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Download and parse the latest ChEMBL chemical representations file. |
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Ensure the latest ChEMBL fingerprints file is downloaded. |
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Ensure the ChEMBL fingerprints file is downloaded and open with |
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Ensure the latest ChEMBL monomer library is downloaded. |
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Ensure the latest ChEMBL monomer library is downloaded and parse its root with |
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Ensure the latest ChEMBL-UniProt target mapping TSV file. |
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Download and parse the latest ChEMBL-UniProt target mapping TSV file. |
Queries
chembl_downloader.queries Module
A collection of query strings for ChEMBL.
Functions
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Get the SQL for the given assay. |
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Get the SQL for all chemicals inhibiting the target. |
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Get all molecules mentioned in a document. |