RDKit
Open-source cheminformatics and machine learning.
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Namespace List
Here is a list of all namespaces with brief descriptions:
N
better_enums
N
BFGSOpt
N
boost
N
logging
N
serialization
N
boost_adaptbx
N
python
N
ChemicalFeatures
N
conrec
N
DistGeom
N
ForceFields
N
CrystalFF
N
ETKDGForceConsts
N
SEQ
N
AIO
N
MMFF
N
Utils
N
UFF
N
Params
N
Utils
N
GaussTorsions
N
V4
N
Invar
N
MolTransforms
N
Queries
N
Rankers
Utility functionality used to rank sequences
N
RDCatalog
N
RDDataManip
N
RDDepict
N
RDFeatures
N
RDGeom
N
RDInfoTheory
Class used to rank bits based on a specified measure of information
N
RDKit
Std stuff
N
Abbreviations
N
common_properties
N
Utils
N
AtomPair
N
AtomPairs
N
Atropisomers
N
Canon
N
detail
N
Chirality
N
detail
N
CIPLabeler
N
CIPLabeler_detail
N
common_properties
N
constants
N
Deprotect
N
Descriptors
N
detail
N
detail
N
details
N
DGeomHelpers
N
DTags
N
EnumerateStereoisomers
N
details
N
EnumerationStrategyPickler
N
EnumerationTypes
N
FileParsers
N
schrodinger
N
FileParserUtils
N
FilterMatchOps
N
FMCS
N
ForceFieldsHelper
N
detail
N
GaussianShape
N
GeneralizedSubstruct
N
GeneralMolSupplier
N
GenericGroups
N
Matchers
N
Local
N
MACCSFingerprints
N
MHFPFingerprints
N
FNV
N
MMFF
N
DefaultParameters
N
Tools
N
MMPA
N
detail
N
MolAlign
N
details
N
MolDraw2D_detail
N
MolDraw2DUtils
N
MolEnumerator
N
detail
N
utils
N
MolFragmenter
N
MolHash
N
MolInterchange
N
MolOps
Groups a variety of molecular query and transformation operations
N
details
N
MolProcessing
N
details
N
MolShapes
N
MolStandardize
N
defaults
N
detail
N
Operations
N
TautomerScoringFunctions
N
MorganFingerprint
N
MorganFingerprints
N
PicklerOps
N
PNGData
Tags used for PNG metadata
N
QueryOps
N
RascalMCES
N
details
N
RDKitFP
N
RDKitFPUtils
N
RDTypeTag
N
detail
N
ReactionRunnerUtils
N
ReducedGraphs
N
RxnOps
N
ScaffoldNetwork
N
detail
N
SGroupParsing
N
SGroupWriting
N
SLNParse
N
SmartsWrite
N
SmilesParse
N
SmilesWrite
N
detail
N
StructureCheck
N
Subgraphs
N
SubstanceGroupChecks
N
SynthonSpaceSearch
N
details
N
TopologicalTorsion
N
UFF
N
Tools
N
Utils
N
detail
N
v1
N
v2
N
CDXMLParser
N
FileParsers
N
MarvinParser
N
ReactionParser
N
SmilesParse
N
RDLog
N
RDMIF
N
RDNumeric
N
Alignments
N
EigenSolvers
N
RDPickers
N
RingUtils
N
SmilesParseOps
N
detail
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