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1. chembl/FPSim2 chembl/FPSim2 Public

   Simple package for fast molecular similarity searches

   Python 159 22

2. uspto-chem uspto-chem Public

   Using RDKit to extract compounds from CDX attachments in USPTO patents

   HTML 1

3. chembl/ChEMBL_Structure_Pipeline chembl/ChEMBL_Structure_Pipeline Public

   ChEMBL database structure pipelines

   Python 229 41

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 19 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. RDKitMinimalLib.jl RDKitMinimalLib.jl Public

   RDKitMinimalLib wrapper for the Julia programming language

   Julia 25 4