The ChEMBL Group's repositories
chembl_webresource_client
Official Python client for accessing ChEMBL API
ChEMBL_Structure_Pipeline
ChEMBL database structure pipelines
chembl_beaker
RDKit wrapper
surechembl-data-client
A collection of scripts for retrieving, storing, and querying SureChEMBL data.
tractability_pipeline_v2
Pipeline for assessing the tractability of potential targets (starting from Gene IDs)
chembl_multitask_model
Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS
cbl_migrator
Migrates Oracle DBs to PostgreSQL, MySQL and SQLite
GLaDOS-docs
Repository for storing the source files of the new interface documentation. https://chembl.gitbook.io/chembl-interface-documentation/
ModifiedNB
Popular cheminformatics NaĂŻve Bayes model implemented in scikit-learn
of_conformal
OpenFaaS function re-implementing https://doi.org/10.1186/s13321-018-0325-4 with LightGBM
tractability_pipeline
Replaced by: https://github.com/chembl/tractability_pipeline_v2
ChEMBL_NTD-Markdown
Markdown files for the new ChEMBL_NTD page: https://chembl.gitbook.io/chembl-ntd/
chembl_webservices_py3
ChEMBL Web Services in Python 3
ChEMBL-Loader-Documentation
A repository for the ChEMBL loader documentation as shown in gitbook. (https://chembl.gitbook.io/chembl-loader/)
compound_target_pairs_dataset
Automatic extraction of interacting compound-target pairs from ChEMBL.
sachem_elchem
Sachem Elchem plugin for elasticsearch
chembl_ws_2_es
Tools to migrate from ChEMBL web services to Elastic Search
surechembl-issues
Public issue report repository for SureChEMBL
unichem2index
Queries Unichem's DB and Indexes the structure data into an Elasticsearch Index