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chembl/FPSim2
chembl/FPSim2 PublicSimple package for fast molecular similarity searches
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chembl/ChEMBL_Structure_Pipeline
chembl/ChEMBL_Structure_Pipeline PublicChEMBL database structure pipelines
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RDKitMinimalLib.jl
RDKitMinimalLib.jl PublicRDKitMinimalLib wrapper for the Julia programming language
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chembl/chembl_multitask_model
chembl/chembl_multitask_model PublicTarget prediction multitask neural network, with examples running it in Python, C++, Julia and JS
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chembl_gen_check
chembl_gen_check PublicSimple package for rapid verification of the existence of scaffolds, generic scaffolds or ring systems in ChEMBL structures
Python 1
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chembl/potsim2
chembl/potsim2 PublicPotSim2: Simple package to segment and compare protein potential grids
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