Chembl Python Packages

bioservices

Access to Biological Web Services from Python.

chembl-downloader

Write reproducible code for getting and processing ChEMBL

scigantic-chembl

Query ChEMBL directly from a public S3 mirror with DuckDB. No download, no local database.

scigantic-surechembl

SureChEMBL patent chemistry from Python: 31M compounds and 45M patents by id, name, SMILES, InChIKey or structure; the patents for any ChEMBL or PubChem compound; full patent text; EBI's bulk parquet read in place with DuckDB; joins into scigantic-chembl and scigantic-bindingdb. No mirror, no key.

insilico

A Python package to process & model ChEMBL data.

themap

Task Hardness Estimation for Molecular Activity Predcition (THEMAP)

mandos

Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.