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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#include <GraphMol/Descriptors/CoulombMat.h>#include <GraphMol/Descriptors/EEM.h>#include <GraphMol/Descriptors/PBF.h>#include <GraphMol/Descriptors/RDF.h>#include <GraphMol/Descriptors/MORSE.h>#include <GraphMol/Descriptors/WHIM.h>#include <GraphMol/Descriptors/GETAWAY.h>#include <GraphMol/Descriptors/AUTOCORR3D.h>#include <GraphMol/Descriptors/PMI.h>