RDKit
Open-source cheminformatics and machine learning.
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Files | |
AtomFeat.h | |
AUTOCORR2D.h | |
AUTOCORR3D.h | |
BCUT.h | |
ConnectivityDescriptors.h | |
Use MolDescriptors.h in client code. | |
CoulombMat.h | |
Crippen.h | |
Use MolDescriptors.h in client code. | |
Data3Ddescriptors.h | |
DCLV.h | |
EEM.h | |
GETAWAY.h | |
Lipinski.h | |
Contains Lipinski and Lipinski-like descriptors. Use MolDescriptors.h in client code. | |
MolData3Ddescriptors.h | |
MolDescriptors.h | |
MolDescriptors3D.h | |
MolSurf.h | |
Use MolDescriptors.h in client code. | |
MORSE.h | |
MQN.h | |
Use MolDescriptors.h in client code. | |
OxidationNumbers.h | |
PBF.h | |
PMI.h | |
Property.h | |
RDF.h | |
RegisterDescriptor.h | |
USRDescriptor.h | |
Contains the USR descriptor. Use MolDescriptors.h in client code. | |
WHIM.h | |