Official Python client for accessing ChEMBL API

Access to Biological Web Services from Python.

Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)

Automatic extraction of interacting compound-target pairs from ChEMBL.

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

Machine learning project to evaluate machine learning approaches in drug discovery.

The computer-assisted chemical synthesis data source project.

Code to retrieve drugs against a desired target using the ChEMBL database API

MINDPROT: Markov Inside for Drugs and Proteins

A Python package to process & model ChEMBL data.