python3-rdkit (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
- amd64
- Section
- universe/python
- Priority
- optional
- Maintainer
- Ubuntu Developers <[email protected]>
Size & integrity
Byte sizes and integrity verification
- Installed size
- 28.4 kB
- Size expected
- 4.9 MB
- Size actual
- 4.9 MB
- Size match
Dependencies
Required package dependencies
- fonts-freefont-ttf
- rdkit-data
- python3-numpy2-abi0 | python3-numpy-abi9
- python3 (<< 3.15)
- python3 (>= 3.14~)
- python3:any
- libboost-numpy1.90.0 (>= 1.90.0)
- libboost-numpy1.90.0-py314
- libboost-python1.90.0 (>= 1.90.0)
- libboost-python1.90.0-py314
- libboost-serialization1.90.0 (>= 1.90.0)
- libc6 (>= 2.34)
- libcairo2 (>= 1.4.10)
- libcoordgen3 (>= 3.0.2)
- libgcc-s1 (>= 3.0)
- librdkit1t64 (>= 202503.6)
- libstdc++6 (>= 14)
Description
Collection of cheminformatics and machine-learning software
Tags
Package classification tags
None
Checksums
Hash values and integrity verification status
| Type | Actual | Match |
|---|---|---|
| MD5 | 015cad15…faab16c5 | |
| SHA-1 | 86425b06…623f1338 | |
| SHA-256 | b41a2ef7…99c9aca9 | |
| SHA-512 | 79fe608c…ffb81cba |
Contents
Files and directories included
. usr usr/lib usr/lib/python3 usr/lib/python3/dist-packages usr/lib/python3/dist-packages/rdkit usr/lib/python3/dist-packages/rdkit/Avalon usr/lib/python3/dist-packages/rdkit/Avalon/__init__.py usr/lib/python3/dist-packages/rdkit/Chem usr/lib/python3/dist-packages/rdkit/Chem/AllChem.py usr/lib/python3/dist-packages/rdkit/Chem/AtomPairs usr/lib/python3/dist-packages/rdkit/Chem/AtomPairs/Pairs.py usr/lib/python3/dist-packages/rdkit/Chem/AtomPairs/Sheridan.py usr/lib/python3/dist-packages/rdkit/Chem/AtomPairs/Torsions.py usr/lib/python3/dist-packages/rdkit/Chem/AtomPairs/Utils.py usr/lib/python3/dist-packages/rdkit/Chem/AtomPairs/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/BRICS.py usr/lib/python3/dist-packages/rdkit/Chem/BuildFragmentCatalog.py usr/lib/python3/dist-packages/rdkit/Chem/ChemUtils usr/lib/python3/dist-packages/rdkit/Chem/ChemUtils/AlignDepict.py usr/lib/python3/dist-packages/rdkit/Chem/ChemUtils/BulkTester.py usr/lib/python3/dist-packages/rdkit/Chem/ChemUtils/DescriptorUtilities.py usr/lib/python3/dist-packages/rdkit/Chem/ChemUtils/SDFToCSV.py usr/lib/python3/dist-packages/rdkit/Chem/ChemUtils/TemplateExpand.py usr/lib/python3/dist-packages/rdkit/Chem/ChemUtils/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/ChemicalFeatures.py usr/lib/python3/dist-packages/rdkit/Chem/ChemicalForceFields.py usr/lib/python3/dist-packages/rdkit/Chem/Crippen.py usr/lib/python3/dist-packages/rdkit/Chem/DSViewer.py usr/lib/python3/dist-packages/rdkit/Chem/Descriptors.py usr/lib/python3/dist-packages/rdkit/Chem/Descriptors3D.py usr/lib/python3/dist-packages/rdkit/Chem/Draw usr/lib/python3/dist-packages/rdkit/Chem/Draw/IPythonConsole.py usr/lib/python3/dist-packages/rdkit/Chem/Draw/InteractiveRenderer.py usr/lib/python3/dist-packages/rdkit/Chem/Draw/MolDrawing.py usr/lib/python3/dist-packages/rdkit/Chem/Draw/SimilarityMaps.py usr/lib/python3/dist-packages/rdkit/Chem/Draw/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/Draw/rdMolDraw2D.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/EState usr/lib/python3/dist-packages/rdkit/Chem/EState/AtomTypes.py usr/lib/python3/dist-packages/rdkit/Chem/EState/EState.py usr/lib/python3/dist-packages/rdkit/Chem/EState/EState_VSA.py usr/lib/python3/dist-packages/rdkit/Chem/EState/Fingerprinter.py usr/lib/python3/dist-packages/rdkit/Chem/EState/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/EnumerateHeterocycles.py usr/lib/python3/dist-packages/rdkit/Chem/EnumerateStereoisomers.py usr/lib/python3/dist-packages/rdkit/Chem/FastSDMolSupplier.py usr/lib/python3/dist-packages/rdkit/Chem/FeatFinderCLI.py usr/lib/python3/dist-packages/rdkit/Chem/FeatMaps usr/lib/python3/dist-packages/rdkit/Chem/FeatMaps/FeatMapParser.py usr/lib/python3/dist-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py usr/lib/python3/dist-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py usr/lib/python3/dist-packages/rdkit/Chem/FeatMaps/FeatMaps.py usr/lib/python3/dist-packages/rdkit/Chem/FeatMaps/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/Features usr/lib/python3/dist-packages/rdkit/Chem/Features/FeatDirUtilsRD.py usr/lib/python3/dist-packages/rdkit/Chem/Features/ShowFeats.py usr/lib/python3/dist-packages/rdkit/Chem/Features/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/FilterCatalog.py usr/lib/python3/dist-packages/rdkit/Chem/Fingerprints usr/lib/python3/dist-packages/rdkit/Chem/Fingerprints/ClusterMols.py usr/lib/python3/dist-packages/rdkit/Chem/Fingerprints/DbFpSupplier.py usr/lib/python3/dist-packages/rdkit/Chem/Fingerprints/FingerprintMols.py usr/lib/python3/dist-packages/rdkit/Chem/Fingerprints/MolSimilarity.py usr/lib/python3/dist-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py usr/lib/python3/dist-packages/rdkit/Chem/Fingerprints/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/Fraggle usr/lib/python3/dist-packages/rdkit/Chem/Fraggle/FraggleSim.py usr/lib/python3/dist-packages/rdkit/Chem/Fraggle/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/FragmentCatalog.py usr/lib/python3/dist-packages/rdkit/Chem/FragmentMatcher.py usr/lib/python3/dist-packages/rdkit/Chem/Fragments.py usr/lib/python3/dist-packages/rdkit/Chem/FunctionalGroups.py usr/lib/python3/dist-packages/rdkit/Chem/GraphDescriptors.py usr/lib/python3/dist-packages/rdkit/Chem/Graphs.py usr/lib/python3/dist-packages/rdkit/Chem/Lipinski.py usr/lib/python3/dist-packages/rdkit/Chem/MACCSkeys.py usr/lib/python3/dist-packages/rdkit/Chem/MCS.py usr/lib/python3/dist-packages/rdkit/Chem/MolCatalog.py usr/lib/python3/dist-packages/rdkit/Chem/MolDb usr/lib/python3/dist-packages/rdkit/Chem/MolDb/FingerprintUtils.py usr/lib/python3/dist-packages/rdkit/Chem/MolDb/Loader.py usr/lib/python3/dist-packages/rdkit/Chem/MolDb/Loader_orig.py usr/lib/python3/dist-packages/rdkit/Chem/MolDb/Loader_sa.py usr/lib/python3/dist-packages/rdkit/Chem/MolDb/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/MolKey usr/lib/python3/dist-packages/rdkit/Chem/MolKey/InchiInfo.py usr/lib/python3/dist-packages/rdkit/Chem/MolKey/MolKey.py usr/lib/python3/dist-packages/rdkit/Chem/MolKey/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/MolStandardize usr/lib/python3/dist-packages/rdkit/Chem/MolStandardize/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/MolStandardize/rdMolStandardize.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/MolSurf.py usr/lib/python3/dist-packages/rdkit/Chem/PandasPatcher.py usr/lib/python3/dist-packages/rdkit/Chem/PandasTools.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm2D usr/lib/python3/dist-packages/rdkit/Chem/Pharm2D/Generate.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm2D/LazyGenerator.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm2D/Matcher.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm2D/SigFactory.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm2D/Utils.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm2D/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm3D usr/lib/python3/dist-packages/rdkit/Chem/Pharm3D/EmbedLib.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm3D/ExcludedVolume.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm3D/Pharmacophore.py usr/lib/python3/dist-packages/rdkit/Chem/Pharm3D/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/PropertyMol.py usr/lib/python3/dist-packages/rdkit/Chem/PyMol.py usr/lib/python3/dist-packages/rdkit/Chem/QED.py usr/lib/python3/dist-packages/rdkit/Chem/Randomize.py usr/lib/python3/dist-packages/rdkit/Chem/Recap.py usr/lib/python3/dist-packages/rdkit/Chem/ReducedGraphs.py usr/lib/python3/dist-packages/rdkit/Chem/RegistrationHash.py usr/lib/python3/dist-packages/rdkit/Chem/SATIS.py usr/lib/python3/dist-packages/rdkit/Chem/SaltRemover.py usr/lib/python3/dist-packages/rdkit/Chem/Scaffolds usr/lib/python3/dist-packages/rdkit/Chem/Scaffolds/MurckoScaffold.py usr/lib/python3/dist-packages/rdkit/Chem/Scaffolds/ScaffoldNetwork.ipynb usr/lib/python3/dist-packages/rdkit/Chem/Scaffolds/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/Scaffolds/rdScaffoldNetwork.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/ShowMols.py usr/lib/python3/dist-packages/rdkit/Chem/SimpleEnum usr/lib/python3/dist-packages/rdkit/Chem/SimpleEnum/Enumerator.py usr/lib/python3/dist-packages/rdkit/Chem/SimpleEnum/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/SpacialScore.py usr/lib/python3/dist-packages/rdkit/Chem/Subshape usr/lib/python3/dist-packages/rdkit/Chem/Subshape/BuilderUtils.py usr/lib/python3/dist-packages/rdkit/Chem/Subshape/SubshapeAligner.py usr/lib/python3/dist-packages/rdkit/Chem/Subshape/SubshapeBuilder.py usr/lib/python3/dist-packages/rdkit/Chem/Subshape/SubshapeObjects.py usr/lib/python3/dist-packages/rdkit/Chem/Subshape/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/Subshape/demoCombined.py usr/lib/python3/dist-packages/rdkit/Chem/Suppliers usr/lib/python3/dist-packages/rdkit/Chem/Suppliers/DbMolSupplier.py usr/lib/python3/dist-packages/rdkit/Chem/Suppliers/MolSupplier.py usr/lib/python3/dist-packages/rdkit/Chem/Suppliers/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/TemplateAlign.py usr/lib/python3/dist-packages/rdkit/Chem/TorsionFingerprints.py usr/lib/python3/dist-packages/rdkit/Chem/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/fmcs usr/lib/python3/dist-packages/rdkit/Chem/fmcs/__init__.py usr/lib/python3/dist-packages/rdkit/Chem/fmcs/fmcs usr/lib/python3/dist-packages/rdkit/Chem/fmcs/fmcs.py usr/lib/python3/dist-packages/rdkit/Chem/inchi.py usr/lib/python3/dist-packages/rdkit/Chem/nbtests usr/lib/python3/dist-packages/rdkit/Chem/nbtests/ChEMBL_quinolones.tsv usr/lib/python3/dist-packages/rdkit/Chem/nbtests/github4823.ipynb usr/lib/python3/dist-packages/rdkit/Chem/nbtests/rdkit-structure-renderer.ipynb usr/lib/python3/dist-packages/rdkit/Chem/rdAbbreviations.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdCIPLabeler.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdChemReactions.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdChemicalFeatures.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdCoordGen.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdDepictor.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdDeprotect.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdDetermineBonds.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdDistGeom.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdEnumerateStereoisomers.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdFMCS.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdFingerprintGenerator.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdForceFieldHelpers.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdGeneralizedSubstruct.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMHFPFingerprint.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMIF.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMMPA.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMolAlign.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMolCatalog.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMolChemicalFeatures.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMolDescriptors.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMolEnumerator.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMolHash.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMolInterchange.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMolProcessing.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdMolTransforms.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdPartialCharges.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdRGroupDecomposition.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdRascalMCES.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdReducedGraphs.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdSLNParse.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdShapeHelpers.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdSubstructLibrary.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdSynthonSpaceSearch.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdTautomerQuery.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdchem.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdfiltercatalog.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdfragcatalog.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdinchi.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdmolfiles.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdmolops.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdqueries.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Chem/rdtrajectory.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/DataManip usr/lib/python3/dist-packages/rdkit/DataManip/Metric usr/lib/python3/dist-packages/rdkit/DataManip/Metric/__init__.py usr/lib/python3/dist-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/DataManip/__init__.py usr/lib/python3/dist-packages/rdkit/DataStructs usr/lib/python3/dist-packages/rdkit/DataStructs/BitEnsemble.py usr/lib/python3/dist-packages/rdkit/DataStructs/BitEnsembleDb.py usr/lib/python3/dist-packages/rdkit/DataStructs/BitUtils.py usr/lib/python3/dist-packages/rdkit/DataStructs/HierarchyVis.py usr/lib/python3/dist-packages/rdkit/DataStructs/LazySignature.py usr/lib/python3/dist-packages/rdkit/DataStructs/TopNContainer.py usr/lib/python3/dist-packages/rdkit/DataStructs/VectCollection.py usr/lib/python3/dist-packages/rdkit/DataStructs/__init__.py usr/lib/python3/dist-packages/rdkit/DataStructs/cDataStructs.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Dbase usr/lib/python3/dist-packages/rdkit/Dbase/DbConnection.py usr/lib/python3/dist-packages/rdkit/Dbase/DbInfo.py usr/lib/python3/dist-packages/rdkit/Dbase/DbModule.py usr/lib/python3/dist-packages/rdkit/Dbase/DbResultSet.py usr/lib/python3/dist-packages/rdkit/Dbase/DbUtils.py usr/lib/python3/dist-packages/rdkit/Dbase/StorageUtils.py usr/lib/python3/dist-packages/rdkit/Dbase/__init__.py usr/lib/python3/dist-packages/rdkit/DistanceGeometry usr/lib/python3/dist-packages/rdkit/DistanceGeometry/DistGeom.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/DistanceGeometry/__init__.py usr/lib/python3/dist-packages/rdkit/ForceField usr/lib/python3/dist-packages/rdkit/ForceField/__init__.py usr/lib/python3/dist-packages/rdkit/ForceField/rdForceField.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/Geometry usr/lib/python3/dist-packages/rdkit/Geometry/__init__.py usr/lib/python3/dist-packages/rdkit/Geometry/rdGeometry.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/ML usr/lib/python3/dist-packages/rdkit/ML/Cluster usr/lib/python3/dist-packages/rdkit/ML/Cluster/Butina.py usr/lib/python3/dist-packages/rdkit/ML/Cluster/ClusterUtils.py usr/lib/python3/dist-packages/rdkit/ML/Cluster/ClusterVis.py usr/lib/python3/dist-packages/rdkit/ML/Cluster/Clustering.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/ML/Cluster/Clusters.py usr/lib/python3/dist-packages/rdkit/ML/Cluster/Murtagh.py usr/lib/python3/dist-packages/rdkit/ML/Cluster/Resemblance.py usr/lib/python3/dist-packages/rdkit/ML/Cluster/Standardize.py usr/lib/python3/dist-packages/rdkit/ML/Cluster/__init__.py usr/lib/python3/dist-packages/rdkit/ML/Cluster/murtagh_test.py usr/lib/python3/dist-packages/rdkit/ML/Data usr/lib/python3/dist-packages/rdkit/ML/Data/DataUtils.py usr/lib/python3/dist-packages/rdkit/ML/Data/FindQuantBounds.py usr/lib/python3/dist-packages/rdkit/ML/Data/MLData.py usr/lib/python3/dist-packages/rdkit/ML/Data/Quantize.py usr/lib/python3/dist-packages/rdkit/ML/Data/SplitData.py usr/lib/python3/dist-packages/rdkit/ML/Data/Stats.py usr/lib/python3/dist-packages/rdkit/ML/Data/Transforms.py usr/lib/python3/dist-packages/rdkit/ML/Data/__init__.py usr/lib/python3/dist-packages/rdkit/ML/Data/cQuantize.cpython-314-x86_64-linux-gnu.so usr/lib/python3/dist-packages/rdkit/ML/Descriptors usr/lib/python3/dist-packages/rdkit/ML/Descriptors/CompoundDescriptors.py usr/lib/python3/dist-packages/rdkit/ML/Descriptors/Descriptors.py usr/lib/python3/dist-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py usr/lib/python3/dist-packages/rdkit/ML/Descriptors/Parser.py usr/lib/python3/dist-packages/rdkit/ML/Descriptors/__init__.py usr/lib/python3/dist-packages/rdkit/ML/InfoTheory usr/lib/python3/dist-packages/rdkit/ML/InfoTheory/BitClusterer.py usr/lib/python3/dist-packages/rdkit/ML/InfoTheory/BitRank.py usr/lib/python3/dist-packages/rdkit/ML/InfoTheory/__init__.py usr/lib/python3/dist-packages/rdkit/ML/InfoTheory/entropy.py 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