RDKit
Open-source cheminformatics and machine learning.
Namespace List
Here is a list of all namespaces with brief descriptions:
[detail level
1
2
3
]
N
BFGSOpt
▼
N
boost
N
logging
▼
N
boost_adaptbx
N
python
N
ChemicalFeatures
N
conrec
N
DistGeom
▼
N
ForceFields
N
CrystalFF
▼
N
MMFF
N
Utils
▼
N
UFF
N
Params
N
Utils
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 infomation
▼
N
RDKit
Std stuff
N
AtomPair
N
AtomPairs
N
Canon
N
common_properties
N
constants
▼
N
Descriptors
N
detail
N
detail
N
DGeomHelpers
N
DTags
N
EnumerationStrategyPickler
N
EnumerationTypes
N
FileParserUtils
N
FilterMatchOps
N
FMCS
▼
N
ForceFieldsHelper
N
detail
N
Local
N
MACCSFingerprints
▼
N
MMFF
N
DefaultParameters
N
Tools
N
MMPA
N
MolAlign
N
MolDraw2D_detail
N
MolDraw2DUtils
N
MolFragmenter
N
MolHash
N
MolInterchange
N
MolOps
Groups a variety of molecular query and transformation operations
N
MolShapes
N
MolStandardize
N
MorganFingerprint
N
MorganFingerprints
N
PicklerOps
N
RDKitFP
N
RDKitFPUtils
▼
N
RDTypeTag
N
detail
N
ReactionRunnerUtils
N
ReducedGraphs
N
RxnOps
N
SGroupParsing
N
SGroupWriting
N
SLNParse
N
SmartsWrite
N
SmilesWrite
N
StructureCheck
N
Subgraphs
N
SubstanceGroupChecks
N
TopologicalTorsion
▼
N
UFF
N
Tools
▼
N
Utils
N
detail
N
RDLog
▼
N
RDNumeric
N
Alignments
N
EigenSolvers
N
RDPickers
N
RingUtils
N
SmilesParseOps
Generated on Fri Jun 12 2020 19:04:45 for RDKit by
1.8.17