20 projects
chembl-gen-check
Simple package that performs basic molecular structural sanity checks
FPSim2
Simple package for fast molecular similarity searching
chembl-structure-pipeline
ChEMBL Structure Pipeline
libRDChEBI
RDKit library to deal with ChEBI's chemistry
cbl-migrator
Migrates Oracle dbs to PostgreSQL, MySQL and SQLite
potsim2
Simple package to segment and compare protein potential grids
chembl-webresource-client
Python client fot accessing ChEMBL webservices.
ModifiedNB
Laplace corrected modified naïve bayes model
chembl_beaker
RDKit in the Bottle on Tornado
chembl_webservices
Python package providing chembl web services API.
chembl_core_model
Core ChEMBL python ORM model
chembl_core_db
Core ChEMBL python library
standardiser
Provides a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.
chembl_migration_model
Core ChEMBL python ORM model for data exports and migration
chembl_extras
Python package providing extra collection of django custom management commands for use with ChEMBL and some classes for use in future
chembl_compatibility
Compatibility layer for running webservices from outside ChEMBL
chembl_business_model
Python package providing chembl webservices API.
chembl_assay_network
Python package generating compound co-occurance matrix for all assays from given document
chembl_migrate
Django custom management tool intended to perform data exports and migration of CheMBL database.
chembl_clippy
A cross-platform chemical structure rendering desktop app.
