Module AllChem
Functions
AddHs
AlignMol
AlignMolConformers
AssignAtomChiralCodes
AssignBondStereoCodes
BuildFeatureFactory
BuildFeatureFactoryFromString
CanonicalizeConformer
CanonicalizeMol
Compute2DCoords
Compute2DCoordsMimicDistmat
ComputeCanonicalTransform
ComputeCentroid
ComputeConfBox
ComputeConfDimsAndOffset
ComputeGasteigerCharges
ComputeMolShape
ComputeMolVolume
ComputeUnionBox
DaylightFingerprint
DeleteSubstructs
EmbedMolecule
EmbedMultipleConfs
EncodeShape
EnumerateLibraryFromReaction
FindAllPathsOfLengthN
FindAllSubgraphsOfLengthN
FindUniqueSubgraphsOfLengthN
GenerateDepictionMatching3DStructure
GetAdjacencyMatrix
GetAlignmentTransform
GetAtomMatch
GetDistanceMatrix
GetFormalCharge
GetMolFrags
GetMoleculeBoundsMatrix
GetPeriodicTable
GetSSSR
GetSymmSSSR
Kekulize
MolFromMolBlock
MolFromMolFile
MolFromSmarts
MolFromSmiles
MolFromTPLBlock
MolFromTPLFile
MolToMolBlock
MolToSmarts
MolToSmiles
MolToTPLBlock
MolToTPLFile
RDKFingerprint
ReactionFromRxnBlock
ReactionFromRxnFile
ReactionFromSmarts
RemoveHs
ReplaceCore
ReplaceSidechains
ReplaceSubstructs
SanitizeMol
ShapeProtrudeDist
ShapeTanimotoDist
SmilesMolSupplierFromText
TransformConformer
TransformMol
UFFGetMoleculeForceField
UFFOptimizeMolecule
WedgeMolBonds
tossit
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