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chembl_webresource_client
Official Python client for accessing ChEMBL APIChEMBL_Structure_Pipeline
ChEMBL database structure pipelinesFPSim2
Simple package for fast molecular similarity searchesmychembl
Resources used to create the myChEMBL virtual machinechembl_beaker
RDKit wrapperGLaDOS
Web Interface for ChEMBL @ EMBL-EBIsurechembl-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_webservices_2
Source code of the ChEMBL web services.target_predictions
autoencoder_ipython
Ipython notebook for blog post entrychembl_multitask_model
Target prediction multitask neural network, with examples running it in Python, C++, Julia and JSnotebooks
notebook repositoryModifiedNB
Popular cheminformatics Naïve Bayes model implemented in scikit-learncbl_migrator
Migrates Oracle DBs to PostgreSQL, MySQL and SQLiteGLaDOS-docs
Repository for storing the source files of the new interface documentation. https://chembl.gitbook.io/chembl-interface-documentation/of_conformal
OpenFaaS function re-implementing https://doi.org/10.1186/s13321-018-0325-4 with LightGBMcompound_target_pairs_dataset
Automatic extraction of interacting compound-target pairs from ChEMBL.antidote
An open platform for chemoinformatics and data-driven drug discovery applicationschembl_target_predictions
Set of script used by ChEMBL group to generate target predictionstractability_pipeline
Replaced by: https://github.com/chembl/tractability_pipeline_v2the-S3-amongos
S3 (AWS Simple Storage Service) server clone using MongoDB, PyMongo and Tornado.chembl_webservices_py3
ChEMBL Web Services in Python 3chembl_core_db
chembl_core_model
ChEMBL_NTD-Markdown
Markdown files for the new ChEMBL_NTD page: https://chembl.gitbook.io/chembl-ntd/eodc_code_examples
Source code for code snippets sumbitted to the Expert Opinion on Drug DiscoveryChEMBL-Loader-Documentation
A repository for the ChEMBL loader documentation as shown in gitbook. (https://chembl.gitbook.io/chembl-loader/)chembl_assay_matrix
Python package generating compound co-occurance matrix for all assays from given documentsachem_elchem
Sachem Elchem plugin for elasticsearchpotsim2
PotSim2: Simple package to segment and compare protein potential gridsmmv_train_image
unichem2index
Queries Unichem's DB and Indexes the structure data into an Elasticsearch Indexchembl_ws_2_es
Tools to migrate from ChEMBL web services to Elastic Searchchembl_webservices
Python package providing chembl webservices API.Unichem-Documentation
structure_pipeline_binder
test_data
Repository to store some data to help in some tests and experiments.surechembl-issues
Public issue report repository for SureChEMBLidg_patents_paper
surechembl-docker-data-client
Dockerized example for Surechembl Data Client App.chembl_api
Python package providing full CRUD operations using REST out of ChEMBL model for internal web apps.openfaas_tp
KNIME_REST_example
Example of accessing ChEMBL API from KNIME using KREST nodes.speices_tagger
SPECIES tagger developed by Evangelos Pafilis et al.pfam_maps
Django app for a web-interface to manually curate mappings of small molecule binding to Pfam-A domainschemistry_service
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