librdkit-dev (202503.6-4)
Details
Core information at a glance
- Distribution
- ubuntu
- Origin
- ubuntu-stonking
- Repository
- https://nl.archive.ubuntu.com/ubuntu
- Codename
- stonking
- Component
- universe
- Source
- rdkit
- Architecture
- amd64v3
- Section
- universe/libdevel
- Priority
- optional
- Maintainer
- Ubuntu Developers <[email protected]>
Size & integrity
Byte sizes and integrity verification
- Installed size
- 2.8 kB
- Size expected
- 362.3 kB
- Size actual
- 362.3 kB
- Size match
Suggested packages
Recommended additional packages
- None
Description
Collection of cheminformatics and machine-learning software (development files)
Tags
Package classification tags
None
Checksums
Hash values and integrity verification status
| Type | Actual | Match |
|---|---|---|
| MD5 | 3a6b9860…dd8af4bc | |
| SHA-1 | 4e4ffabc…158b8f84 | |
| SHA-256 | 35abaef3…874725d1 | |
| SHA-512 | 753aee14…1f3565eb |
Contents
Files and directories included
. usr usr/include usr/include/rdkit usr/include/rdkit/Catalogs usr/include/rdkit/Catalogs/Catalog.h usr/include/rdkit/Catalogs/CatalogEntry.h usr/include/rdkit/Catalogs/CatalogParams.h usr/include/rdkit/ChemicalFeatures usr/include/rdkit/ChemicalFeatures/ChemicalFeature.h usr/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h usr/include/rdkit/DataManip usr/include/rdkit/DataManip/MetricMatrixCalc usr/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h usr/include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h usr/include/rdkit/DataStructs usr/include/rdkit/DataStructs/BitOps.h usr/include/rdkit/DataStructs/BitVect.h usr/include/rdkit/DataStructs/BitVectUtils.h usr/include/rdkit/DataStructs/BitVects.h usr/include/rdkit/DataStructs/DatastructsException.h usr/include/rdkit/DataStructs/DatastructsStreamOps.h usr/include/rdkit/DataStructs/DiscreteDistMat.h usr/include/rdkit/DataStructs/DiscreteValueVect.h usr/include/rdkit/DataStructs/ExplicitBitVect.h usr/include/rdkit/DataStructs/FPBReader.h usr/include/rdkit/DataStructs/MultiFPBReader.h usr/include/rdkit/DataStructs/RealValueVect.h usr/include/rdkit/DataStructs/SparseBitVect.h usr/include/rdkit/DataStructs/SparseIntVect.h usr/include/rdkit/DataStructs/base64.h usr/include/rdkit/DistGeom usr/include/rdkit/DistGeom/BoundsMatrix.h usr/include/rdkit/DistGeom/ChiralSet.h usr/include/rdkit/DistGeom/ChiralViolationContribs.h usr/include/rdkit/DistGeom/DistGeomUtils.h usr/include/rdkit/DistGeom/DistViolationContribs.h usr/include/rdkit/DistGeom/FourthDimContribs.h usr/include/rdkit/DistGeom/TriangleSmooth.h usr/include/rdkit/Features usr/include/rdkit/Features/Feature.h usr/include/rdkit/ForceField usr/include/rdkit/ForceField/AngleConstraint.h usr/include/rdkit/ForceField/AngleConstraints.h usr/include/rdkit/ForceField/Contrib.h usr/include/rdkit/ForceField/DistanceConstraint.h usr/include/rdkit/ForceField/DistanceConstraints.h usr/include/rdkit/ForceField/ForceField.h usr/include/rdkit/ForceField/MMFF usr/include/rdkit/ForceField/MMFF/AngleBend.h usr/include/rdkit/ForceField/MMFF/AngleConstraint.h usr/include/rdkit/ForceField/MMFF/BondStretch.h usr/include/rdkit/ForceField/MMFF/Contribs.h usr/include/rdkit/ForceField/MMFF/DistanceConstraint.h usr/include/rdkit/ForceField/MMFF/Nonbonded.h usr/include/rdkit/ForceField/MMFF/OopBend.h usr/include/rdkit/ForceField/MMFF/Params.h usr/include/rdkit/ForceField/MMFF/PositionConstraint.h usr/include/rdkit/ForceField/MMFF/StretchBend.h usr/include/rdkit/ForceField/MMFF/TorsionAngle.h usr/include/rdkit/ForceField/MMFF/TorsionConstraint.h usr/include/rdkit/ForceField/PositionConstraint.h usr/include/rdkit/ForceField/TorsionConstraint.h usr/include/rdkit/ForceField/UFF usr/include/rdkit/ForceField/UFF/AngleBend.h usr/include/rdkit/ForceField/UFF/AngleConstraint.h usr/include/rdkit/ForceField/UFF/BondStretch.h usr/include/rdkit/ForceField/UFF/Contribs.h usr/include/rdkit/ForceField/UFF/DistanceConstraint.h usr/include/rdkit/ForceField/UFF/Inversion.h usr/include/rdkit/ForceField/UFF/Inversions.h usr/include/rdkit/ForceField/UFF/Nonbonded.h usr/include/rdkit/ForceField/UFF/Params.h usr/include/rdkit/ForceField/UFF/PositionConstraint.h usr/include/rdkit/ForceField/UFF/TorsionAngle.h usr/include/rdkit/ForceField/UFF/TorsionConstraint.h usr/include/rdkit/ForceField/UFF/Utils.h usr/include/rdkit/Geometry usr/include/rdkit/Geometry/Grid3D.h usr/include/rdkit/Geometry/GridUtils.h usr/include/rdkit/Geometry/Transform.h usr/include/rdkit/Geometry/Transform2D.h usr/include/rdkit/Geometry/Transform3D.h usr/include/rdkit/Geometry/UniformGrid3D.h usr/include/rdkit/Geometry/UniformRealValueGrid3D.h usr/include/rdkit/Geometry/Utils.h usr/include/rdkit/Geometry/point.h usr/include/rdkit/GraphMol usr/include/rdkit/GraphMol/Abbreviations usr/include/rdkit/GraphMol/Abbreviations/Abbreviations.h usr/include/rdkit/GraphMol/Atom.h usr/include/rdkit/GraphMol/AtomIterators.h usr/include/rdkit/GraphMol/Atropisomers.h usr/include/rdkit/GraphMol/Bond.h usr/include/rdkit/GraphMol/BondIterators.h usr/include/rdkit/GraphMol/CIPLabeler usr/include/rdkit/GraphMol/CIPLabeler/CIPLabeler.h usr/include/rdkit/GraphMol/CIPLabeler/TooManyNodesException.h usr/include/rdkit/GraphMol/Canon.h usr/include/rdkit/GraphMol/ChemReactions usr/include/rdkit/GraphMol/ChemReactions/Enumerate usr/include/rdkit/GraphMol/ChemReactions/Enumerate/CartesianProduct.h usr/include/rdkit/GraphMol/ChemReactions/Enumerate/Enumerate.h usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateBase.h usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h usr/include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h usr/include/rdkit/GraphMol/ChemReactions/Reaction.h usr/include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h usr/include/rdkit/GraphMol/ChemReactions/ReactionParser.h usr/include/rdkit/GraphMol/ChemReactions/ReactionPickler.h usr/include/rdkit/GraphMol/ChemReactions/ReactionRunner.h usr/include/rdkit/GraphMol/ChemReactions/ReactionUtils.h usr/include/rdkit/GraphMol/ChemReactions/SanitizeRxn.h usr/include/rdkit/GraphMol/ChemTransforms usr/include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenter.h usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenterJSONParser.h usr/include/rdkit/GraphMol/Chirality.h usr/include/rdkit/GraphMol/Conformer.h usr/include/rdkit/GraphMol/CoordGen.h usr/include/rdkit/GraphMol/Depictor usr/include/rdkit/GraphMol/Depictor/DepictUtils.h usr/include/rdkit/GraphMol/Depictor/EmbeddedFrag.h usr/include/rdkit/GraphMol/Depictor/RDDepictor.h usr/include/rdkit/GraphMol/Deprotect usr/include/rdkit/GraphMol/Deprotect/Deprotect.h usr/include/rdkit/GraphMol/Descriptors usr/include/rdkit/GraphMol/Descriptors/AUTOCORR2D.h usr/include/rdkit/GraphMol/Descriptors/AUTOCORR3D.h usr/include/rdkit/GraphMol/Descriptors/AtomFeat.h usr/include/rdkit/GraphMol/Descriptors/BCUT.h usr/include/rdkit/GraphMol/Descriptors/ConnectivityDescriptors.h usr/include/rdkit/GraphMol/Descriptors/CoulombMat.h usr/include/rdkit/GraphMol/Descriptors/Crippen.h usr/include/rdkit/GraphMol/Descriptors/DCLV.h usr/include/rdkit/GraphMol/Descriptors/Data3Ddescriptors.h usr/include/rdkit/GraphMol/Descriptors/EEM.h usr/include/rdkit/GraphMol/Descriptors/GETAWAY.h usr/include/rdkit/GraphMol/Descriptors/Lipinski.h usr/include/rdkit/GraphMol/Descriptors/MORSE.h usr/include/rdkit/GraphMol/Descriptors/MQN.h usr/include/rdkit/GraphMol/Descriptors/MolData3Ddescriptors.h usr/include/rdkit/GraphMol/Descriptors/MolDescriptors.h usr/include/rdkit/GraphMol/Descriptors/MolDescriptors3D.h usr/include/rdkit/GraphMol/Descriptors/MolSurf.h usr/include/rdkit/GraphMol/Descriptors/OxidationNumbers.h usr/include/rdkit/GraphMol/Descriptors/PBF.h usr/include/rdkit/GraphMol/Descriptors/PMI.h usr/include/rdkit/GraphMol/Descriptors/Property.h usr/include/rdkit/GraphMol/Descriptors/RDF.h usr/include/rdkit/GraphMol/Descriptors/RegisterDescriptor.h usr/include/rdkit/GraphMol/Descriptors/USRDescriptor.h usr/include/rdkit/GraphMol/Descriptors/WHIM.h usr/include/rdkit/GraphMol/DetermineBonds usr/include/rdkit/GraphMol/DetermineBonds/DetermineBonds.h usr/include/rdkit/GraphMol/DistGeomHelpers usr/include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h usr/include/rdkit/GraphMol/DistGeomHelpers/Embedder.h usr/include/rdkit/GraphMol/EnumerateStereoisomers usr/include/rdkit/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h usr/include/rdkit/GraphMol/EnumerateStereoisomers/Flippers.h usr/include/rdkit/GraphMol/FMCS usr/include/rdkit/GraphMol/FMCS/FMCS.h usr/include/rdkit/GraphMol/FMCS/Graph.h usr/include/rdkit/GraphMol/FileParsers usr/include/rdkit/GraphMol/FileParsers/CDXMLParser.h usr/include/rdkit/GraphMol/FileParsers/FileParserUtils.h usr/include/rdkit/GraphMol/FileParsers/FileParsers.h usr/include/rdkit/GraphMol/FileParsers/FileWriters.h usr/include/rdkit/GraphMol/FileParsers/GeneralFileReader.h usr/include/rdkit/GraphMol/FileParsers/MolFileStereochem.h usr/include/rdkit/GraphMol/FileParsers/MolSupplier.h usr/include/rdkit/GraphMol/FileParsers/MolSupplier.v1API.h usr/include/rdkit/GraphMol/FileParsers/MolWriters.h usr/include/rdkit/GraphMol/FileParsers/MultithreadedMolSupplier.h usr/include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h usr/include/rdkit/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h usr/include/rdkit/GraphMol/FileParsers/PNGParser.h usr/include/rdkit/GraphMol/FileParsers/SequenceParsers.h usr/include/rdkit/GraphMol/FileParsers/SequenceWriters.h usr/include/rdkit/GraphMol/FilterCatalog usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalog.h usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalogEntry.h usr/include/rdkit/GraphMol/FilterCatalog/FilterMatcherBase.h usr/include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h usr/include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h usr/include/rdkit/GraphMol/Fingerprints usr/include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h usr/include/rdkit/GraphMol/Fingerprints/AtomPairs.h usr/include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h usr/include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h usr/include/rdkit/GraphMol/Fingerprints/Fingerprints.h usr/include/rdkit/GraphMol/Fingerprints/MACCS.h usr/include/rdkit/GraphMol/Fingerprints/MHFP.h usr/include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h usr/include/rdkit/GraphMol/Fingerprints/MorganGenerator.h usr/include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h usr/include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h usr/include/rdkit/GraphMol/ForceFieldHelpers usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h usr/include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h usr/include/rdkit/GraphMol/FragCatalog usr/include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h usr/include/rdkit/GraphMol/FragCatalog/FragCatParams.h usr/include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h usr/include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h usr/include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h usr/include/rdkit/GraphMol/GeneralizedSubstruct usr/include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h usr/include/rdkit/GraphMol/GenericGroups usr/include/rdkit/GraphMol/GenericGroups/GenericGroups.h usr/include/rdkit/GraphMol/GraphMol.h usr/include/rdkit/GraphMol/MMPA usr/include/rdkit/GraphMol/MMPA/MMPA.h usr/include/rdkit/GraphMol/MarvinParse usr/include/rdkit/GraphMol/MarvinParse/MarvinParser.h usr/include/rdkit/GraphMol/MolAlign usr/include/rdkit/GraphMol/MolAlign/AlignMolecules.h usr/include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h usr/include/rdkit/GraphMol/MolBundle.h usr/include/rdkit/GraphMol/MolCatalog usr/include/rdkit/GraphMol/MolCatalog/MolCatalog.h usr/include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h usr/include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h usr/include/rdkit/GraphMol/MolChemicalFeatures usr/include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h usr/include/rdkit/GraphMol/MolDraw2D usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DCairo.h usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h usr/include/rdkit/GraphMol/MolEnumerator usr/include/rdkit/GraphMol/MolEnumerator/LinkNode.h usr/include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h usr/include/rdkit/GraphMol/MolHash usr/include/rdkit/GraphMol/MolHash/MolHash.h usr/include/rdkit/GraphMol/MolHash/nmmolhash.h usr/include/rdkit/GraphMol/MolInteractionFields usr/include/rdkit/GraphMol/MolInteractionFields/MIFDescriptors.h usr/include/rdkit/GraphMol/MolInterchange usr/include/rdkit/GraphMol/MolInterchange/MolInterchange.h usr/include/rdkit/GraphMol/MolInterchange/details.h usr/include/rdkit/GraphMol/MolOps.h usr/include/rdkit/GraphMol/MolPickler.h usr/include/rdkit/GraphMol/MolProcessing usr/include/rdkit/GraphMol/MolProcessing/MolProcessing.h usr/include/rdkit/GraphMol/MolStandardize usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h usr/include/rdkit/GraphMol/MolStandardize/Charge.h usr/include/rdkit/GraphMol/MolStandardize/Fragment.h usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h usr/include/rdkit/GraphMol/MolStandardize/Metal.h usr/include/rdkit/GraphMol/MolStandardize/MolStandardize.h usr/include/rdkit/GraphMol/MolStandardize/Normalize.h usr/include/rdkit/GraphMol/MolStandardize/Pipeline.h usr/include/rdkit/GraphMol/MolStandardize/Tautomer.h usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h usr/include/rdkit/GraphMol/MolStandardize/Validate.h usr/include/rdkit/GraphMol/MolTransforms usr/include/rdkit/GraphMol/MolTransforms/MolTransforms.h usr/include/rdkit/GraphMol/MonomerInfo.h usr/include/rdkit/GraphMol/PartialCharges usr/include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h usr/include/rdkit/GraphMol/PartialCharges/GasteigerParams.h usr/include/rdkit/GraphMol/PeriodicTable.h usr/include/rdkit/GraphMol/QueryAtom.h usr/include/rdkit/GraphMol/QueryBond.h usr/include/rdkit/GraphMol/QueryOps.h usr/include/rdkit/GraphMol/RDKitBase.h usr/include/rdkit/GraphMol/RDKitQueries.h usr/include/rdkit/GraphMol/RGroupDecomposition usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h usr/include/rdkit/GraphMol/ROMol.h usr/include/rdkit/GraphMol/RWMol.h usr/include/rdkit/GraphMol/RascalMCES usr/include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h usr/include/rdkit/GraphMol/RascalMCES/RascalMCES.h usr/include/rdkit/GraphMol/RascalMCES/RascalOptions.h usr/include/rdkit/GraphMol/RascalMCES/RascalResult.h usr/include/rdkit/GraphMol/ReducedGraphs usr/include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h usr/include/rdkit/GraphMol/Resonance.h usr/include/rdkit/GraphMol/RingInfo.h usr/include/rdkit/GraphMol/Rings.h usr/include/rdkit/GraphMol/SLNParse usr/include/rdkit/GraphMol/SLNParse/SLNAttribs.h usr/include/rdkit/GraphMol/SLNParse/SLNParse.h usr/include/rdkit/GraphMol/SLNParse/SLNParseOps.h usr/include/rdkit/GraphMol/SanitException.h usr/include/rdkit/GraphMol/ScaffoldNetwork usr/include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h usr/include/rdkit/GraphMol/ShapeHelpers usr/include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h usr/include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h usr/include/rdkit/GraphMol/SmilesParse usr/include/rdkit/GraphMol/SmilesParse/CanonicalizeStereoGroups.h usr/include/rdkit/GraphMol/SmilesParse/SmartsWrite.h usr/include/rdkit/GraphMol/SmilesParse/SmilesJSONParsers.h usr/include/rdkit/GraphMol/SmilesParse/SmilesParse.h usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h usr/include/rdkit/GraphMol/SmilesParse/SmilesWrite.h usr/include/rdkit/GraphMol/StereoGroup.h usr/include/rdkit/GraphMol/Subgraphs usr/include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h usr/include/rdkit/GraphMol/Subgraphs/Subgraphs.h usr/include/rdkit/GraphMol/SubstanceGroup.h usr/include/rdkit/GraphMol/Substruct usr/include/rdkit/GraphMol/Substruct/SubstructMatch.h usr/include/rdkit/GraphMol/Substruct/SubstructUtils.h usr/include/rdkit/GraphMol/SubstructLibrary usr/include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h usr/include/rdkit/GraphMol/SynthonSpaceSearch usr/include/rdkit/GraphMol/SynthonSpaceSearch/SearchResults.h usr/include/rdkit/GraphMol/SynthonSpaceSearch/Synthon.h usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSet.h usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpace.h usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h usr/include/rdkit/GraphMol/TautomerQuery usr/include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h usr/include/rdkit/GraphMol/Trajectory usr/include/rdkit/GraphMol/Trajectory/Snapshot.h usr/include/rdkit/GraphMol/Trajectory/Trajectory.h usr/include/rdkit/GraphMol/atomic_data.h usr/include/rdkit/GraphMol/details.h usr/include/rdkit/GraphMol/inchi.h usr/include/rdkit/GraphMol/new_canon.h usr/include/rdkit/Numerics usr/include/rdkit/Numerics/Alignment usr/include/rdkit/Numerics/Alignment/AlignPoints.h usr/include/rdkit/Numerics/Conrec.h usr/include/rdkit/Numerics/EigenSolvers usr/include/rdkit/Numerics/EigenSolvers/PowerEigenSolver.h usr/include/rdkit/Numerics/Matrix.h usr/include/rdkit/Numerics/Optimizer usr/include/rdkit/Numerics/Optimizer/BFGSOpt.h usr/include/rdkit/Numerics/SquareMatrix.h usr/include/rdkit/Numerics/SymmMatrix.h usr/include/rdkit/Numerics/Vector.h usr/include/rdkit/Query usr/include/rdkit/Query/AndQuery.h usr/include/rdkit/Query/EqualityQuery.h usr/include/rdkit/Query/GreaterEqualQuery.h usr/include/rdkit/Query/GreaterQuery.h usr/include/rdkit/Query/LessEqualQuery.h usr/include/rdkit/Query/LessQuery.h usr/include/rdkit/Query/NullQueryAlgebra.h 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