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1. chembl/FPSim2 chembl/FPSim2 Public

   Simple package for fast molecular similarity searches

   Python 115 19

2. chembl/ChEMBL_Structure_Pipeline chembl/ChEMBL_Structure_Pipeline Public

   ChEMBL database structure pipelines

   Python 197 38

3. RDKitMinimalLib.jl RDKitMinimalLib.jl Public

   RDKitMinimalLib wrapper for the Julia programming language

   Julia 25 3

4. chembl/chembl_multitask_model chembl/chembl_multitask_model Public

   Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS

   Python 14 9

5. chembl/cbl_migrator chembl/cbl_migrator Public

   Migrates Oracle DBs to PostgreSQL, MySQL and SQLite

   Python 7 2

6. chembl/potsim2 chembl/potsim2 Public

   PotSim2: Simple package to segment and compare protein potential grids

   Python 2