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1. chembl/FPSim2 chembl/FPSim2 Public

   Simple package for fast molecular similarity searches

   Python 137 22

2. chembl/ChEMBL_Structure_Pipeline chembl/ChEMBL_Structure_Pipeline Public

   ChEMBL database structure pipelines

   Python 209 41

3. RDKitMinimalLib.jl RDKitMinimalLib.jl Public

   RDKitMinimalLib wrapper for the Julia programming language

   Julia 25 2

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 17 10

5. chembl_gen_check chembl_gen_check Public

   Simple package for rapid verification of the existence of scaffolds, generic scaffolds or ring systems in ChEMBL structures

   Python 1

6. chembl/potsim2 chembl/potsim2 Public

   PotSim2: Simple package to segment and compare protein potential grids

   Python 2 1