Pinned Repositories
chembl_beaker
RDKit wrapper
chembl_multitask_model
Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS
ChEMBL_Structure_Pipeline
ChEMBL database structure pipelines
chembl_webresource_client
Official Python client for accessing ChEMBL API
chembl_webservices_2
Source code of the ChEMBL web services.
FPSim2
Simple package for fast molecular similarity searches
GLaDOS
Web Interface for ChEMBL @ EMBL-EBI
mychembl
Resources used to create the myChEMBL virtual machine
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)
The ChEMBL Group's Repositories
chembl/chembl_webresource_client
Official Python client for accessing ChEMBL API
chembl/ChEMBL_Structure_Pipeline
ChEMBL database structure pipelines
chembl/FPSim2
Simple package for fast molecular similarity searches
chembl/chembl_beaker
RDKit wrapper
chembl/GLaDOS
Web Interface for ChEMBL @ EMBL-EBI
chembl/surechembl-data-client
A collection of scripts for retrieving, storing, and querying SureChEMBL data.
chembl/tractability_pipeline_v2
Pipeline for assessing the tractability of potential targets (starting from Gene IDs)
chembl/chembl_multitask_model
Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS
chembl/compound_target_pairs_dataset
Automatic extraction of interacting compound-target pairs from ChEMBL.
chembl/notebooks
notebook repository
chembl/GLaDOS-docs
Repository for storing the source files of the new interface documentation. https://chembl.gitbook.io/chembl-interface-documentation/
chembl/cbl_migrator
Migrates Oracle DBs to PostgreSQL, MySQL and SQLite
chembl/ModifiedNB
Popular cheminformatics Naïve Bayes model implemented in scikit-learn
chembl/of_conformal
OpenFaaS function re-implementing https://doi.org/10.1186/s13321-018-0325-4 with LightGBM
chembl/tractability_pipeline
Replaced by: https://github.com/chembl/tractability_pipeline_v2
chembl/chembl_core_db
chembl/ChEMBL_NTD-Markdown
Markdown files for the new ChEMBL_NTD page: https://chembl.gitbook.io/chembl-ntd/
chembl/chembl_webservices_py3
ChEMBL Web Services in Python 3
chembl/ChEMBL-Loader-Documentation
A repository for the ChEMBL loader documentation as shown in gitbook. (https://chembl.gitbook.io/chembl-loader/)
chembl/mmv_train_image
chembl/potsim2
PotSim2: Simple package to segment and compare protein potential grids
chembl/sachem_elchem
Sachem Elchem plugin for elasticsearch
chembl/chembl_ws_2_es
Tools to migrate from ChEMBL web services to Elastic Search
chembl/chemistry_service
chembl/idg_patents_paper
chembl/structure_pipeline_binder
chembl/surechembl-issues
Public issue report repository for SureChEMBL
chembl/Unichem-Documentation
chembl/unichem2index
Queries Unichem's DB and Indexes the structure data into an Elasticsearch Index
chembl/libRDChEBI