All

75 repositories

presentations
Public
Public repository sharing the public presentations (talks, posters, articles etc) produced by the Chemical Biology Services
0•2•0•0•Updated Apr 28, 2026Apr 28, 2026
chembl_assay_annotation
Public
Jupyter Notebook
•
MIT License
•1•3•0•0•Updated Mar 27, 2026Mar 27, 2026
chembl_webresource_client
Public
Official Python client for accessing ChEMBL API
python rest chemistry
python rest chemistry cheminformatics chemoinformatics rest-client chembl
Python
•
Other
•103•441•25•4•Updated Mar 24, 2026Mar 24, 2026
FPSim2
Public
Simple package for fast molecular similarity searches
python chemistry cheminformatics
python chemistry cheminformatics gpu similarity-search
Python
•
MIT License
•22•169•2•1•Updated Mar 11, 2026Mar 11, 2026
chemical_probes_lit
Public
Jupyter Notebook
•
MIT License
•0•0•0•0•Updated Mar 4, 2026Mar 4, 2026
GLaDOS-docs
Public
Repository for storing the source files of the new interface documentation. https://chembl.gitbook.io/chembl-interface-documentation/
4•9•1•1•Updated Feb 27, 2026Feb 27, 2026
chembl-pk-parameter-regex
Public
Jupyter Notebook
•
MIT License
•0•0•0•0•Updated Jan 17, 2026Jan 17, 2026
ChEMBL_Structure_Pipeline
Public
ChEMBL database structure pipelines
Python
•
MIT License
•43•238•6•4•Updated Nov 24, 2025Nov 24, 2025
libRDChEBI
Public
Python
•
MIT License
•2•0•2•0•Updated Oct 2, 2025Oct 2, 2025
compound_target_pairs_dataset
Public
Automatic extraction of interacting compound-target pairs from ChEMBL.
python chemistry cheminformatics
python chemistry cheminformatics dataset chemoinformatics chembl drug-targets drug-target-interactions
Python
•
Apache License 2.0
•1•21•0•0•Updated Sep 23, 2025Sep 23, 2025
chembl_multitask_model
Public
Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS
machine-learning chemistry cheminformatics
machine-learning chemistry cheminformatics
Python
•
MIT License
•10•21•1•0•Updated Sep 20, 2025Sep 20, 2025
EnsembleFlex
Public
EnsembleFlex - Flexibility Analysis of Structure Ensembles
Python
•
MIT License
•0•18•0•0•Updated Sep 10, 2025Sep 10, 2025
cbl_migrator
Public
Migrates Oracle DBs to PostgreSQL, MySQL and SQLite
Python
•
MIT License
•2•7•0•0•Updated Sep 6, 2025Sep 6, 2025
tractability_pipeline_v2
Public
Pipeline for assessing the tractability of potential targets (starting from Gene IDs)
Python
•
MIT License
•9•29•1•3•Updated Feb 9, 2025Feb 9, 2025
potsim2
Public
PotSim2: Simple package to segment and compare protein potential grids
Python
•
MIT License
•1•2•0•0•Updated Jan 15, 2025Jan 15, 2025
surechembl-data-client
Public
A collection of scripts for retrieving, storing, and querying SureChEMBL data.
surechembl
surechembl
Python
•
MIT License
•18•42•6•5•Updated Jul 11, 2024Jul 11, 2024
ChEMBL_NTD-Markdown
Public
Markdown files for the new ChEMBL_NTD page: https://chembl.gitbook.io/chembl-ntd/
4•4•0•0•Updated Jun 13, 2024Jun 13, 2024
chembl_beaker
Public
RDKit wrapper
Python
•
Other
•23•50•1•1•Updated Apr 9, 2024Apr 9, 2024
chembl_webservices_py3
Public
ChEMBL Web Services in Python 3
Python
•
Apache License 2.0
•4•4•3•1•Updated Feb 7, 2024Feb 7, 2024
ChEMBL-Loader-Documentation
Public
A repository for the ChEMBL loader documentation as shown in gitbook. (https://chembl.gitbook.io/chembl-loader/)
2•3•0•0•Updated Nov 8, 2023Nov 8, 2023
surechembl-issues
Public
Public issue report repository for SureChEMBL
0•1•4•0•Updated Sep 25, 2023Sep 25, 2023
chemistry_service
Public
Python
•0•1•0•0•Updated Mar 23, 2023Mar 23, 2023
idg_patents_paper
Public
Perl
•
Apache License 2.0
•0•1•1•0•Updated Feb 23, 2023Feb 23, 2023
chembl_ws_2_es
Public
Tools to migrate from ChEMBL web services to Elastic Search
Python
•
Apache License 2.0
•1•1•0•4•Updated Dec 8, 2022Dec 8, 2022
GLaDOS
Public
Web Interface for ChEMBL @ EMBL-EBI
chemistry cheminformatics molecular-structures
chemistry cheminformatics molecular-structures webapp drug-discovery chemoinformatics chembl drug-targets
JavaScript
•
Other
•8•54•136•2•Updated Apr 22, 2022Apr 22, 2022
of_conformal
Public
OpenFaaS function re-implementing https://doi.org/10.1186/s13321-018-0325-4 with LightGBM
Python
•
Creative Commons Attribution 4.0 International
•3•8•2•0•Updated Jan 18, 2022Jan 18, 2022
training_notebooks
Public
notebook repository
Jupyter Notebook
•5•13•0•0•Updated Jan 17, 2022Jan 17, 2022
chembl_core_db
Public
Python
•
Other
•3•4•1•1•Updated Jun 10, 2021Jun 10, 2021
sachem_elchem
Public
Sachem Elchem plugin for elasticsearch
C
•1•3•0•0•Updated Jul 7, 2020Jul 7, 2020
mmv_train_image
Public
Python
•3•2•0•0•Updated May 13, 2020May 13, 2020

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Chemical Biology Services @ EMBL-EBI

All

All

75 repositories

presentations

chembl_assay_annotation

chembl_webresource_client

FPSim2

chemical_probes_lit

GLaDOS-docs

chembl-pk-parameter-regex

ChEMBL_Structure_Pipeline

libRDChEBI

compound_target_pairs_dataset

chembl_multitask_model

EnsembleFlex

cbl_migrator

tractability_pipeline_v2

potsim2

surechembl-data-client

ChEMBL_NTD-Markdown

chembl_beaker

chembl_webservices_py3

ChEMBL-Loader-Documentation

surechembl-issues

chemistry_service

idg_patents_paper

chembl_ws_2_es

GLaDOS

of_conformal

training_notebooks

chembl_core_db

sachem_elchem

mmv_train_image

All

All

Repositories list

75 repositories