python-rdkit_201503-3_amd64.deb


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Description

python-rdkit - Collection of cheminformatics and machine-learning software

Distribution: Ubuntu 16.04 LTS (Xenial Xerus)
Repository: Ubuntu Universe amd64
Package name: python-rdkit
Package version: 201503
Package release: 3
Package architecture: amd64
Package type: deb
Installed size: 32.72 KB
Download size: 3.06 MB
Official Mirror: archive.ubuntu.com
RDKit is a Python/C++ based cheminformatics and machine-learning software environment. Features Include: * Chemical reaction handling and transforms * Substructure searching with SMARTS * Canonical SMILES * Molecule-molecule alignment * Large number of molecular descriptors, including topological, compositional, EState, SlogP/SMR, VSA and Feature-map vectors * Fragmentation using RECAP rules * 2D coordinate generation and depiction, including constrained depiction * 3D coordinate generation using geometry embedding * UFF and MMFF94 forcefields * Chirality support, including calculation of (R/S) stereochemistry codes * 2D pharmacophore searching * Fingerprinting, including Daylight-like, atom pairs, topological torsions, Morgan alogrithm and MACCS keys * Calculation of shape similarity * Multi-molecule maximum common substructure * Machine-learning via clustering and information theory algorithms * Gasteiger-Marsili partial charge calculation File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit binary format.

Alternatives

Provides

  • python2.7-rdkit

    Download

    Source package: rdkit

    Install Howto

    1. Update the package index:
      # sudo apt-get update
    2. Install python-rdkit deb package:
      # sudo apt-get install python-rdkit

    Files

    • /usr/lib/python2.7/dist-packages/rdkit/RDConfig.py
    • /usr/lib/python2.7/dist-packages/rdkit/RDLogger.py
    • /usr/lib/python2.7/dist-packages/rdkit/RDPaths.py
    • /usr/lib/python2.7/dist-packages/rdkit/RDRandom.py
    • /usr/lib/python2.7/dist-packages/rdkit/TestRunner.py
    • /usr/lib/python2.7/dist-packages/rdkit/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/_py2_pickle.py
    • /usr/lib/python2.7/dist-packages/rdkit/epydoc.config
    • /usr/lib/python2.7/dist-packages/rdkit/rdBase.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/six.py
    • /usr/lib/python2.7/dist-packages/rdkit/Avalon/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/AllChem.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/BRICS.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/BuildFragmentCatalog.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/ChemicalFeatures.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/ChemicalForceFields.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Crippen.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/DSViewer.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Descriptors.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FastSDMolSupplier.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FeatFinderCLI.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FragmentCatalog.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FragmentMatcher.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Fragments.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FunctionalGroups.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/GraphDescriptors.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Graphs.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Lipinski.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/MACCSkeys.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/MCS.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/MolCatalog.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/MolSurf.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/PandasTools.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/PeriodicTable.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/PropertyMol.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/PyMol.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Randomize.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Recap.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/SATIS.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/SaltRemover.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/ShowMols.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/TemplateAlign.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/TorsionFingerprints.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/inchi.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdChemReactions.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdChemicalFeatures.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdDepictor.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdDistGeom.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdFMCS.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdForceFieldHelpers.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdMolAlign.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdMolCatalog.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdMolChemicalFeatures.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdMolDescriptors.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdMolHash.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdMolTransforms.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdPartialCharges.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdSLNParse.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdShapeHelpers.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdchem.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdfragcatalog.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdmolfiles.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdmolops.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/rdqueries.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/AtomPairs/Pairs.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/AtomPairs/Torsions.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/AtomPairs/Utils.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/AtomPairs/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/ChemUtils/AlignDepict.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/ChemUtils/BulkTester.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/ChemUtils/SDFToCSV.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/ChemUtils/TemplateExpand.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/ChemUtils/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/FreeSans.ttf
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/IPythonConsole.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/MolDrawing.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/SimilarityMaps.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/aggCanvas.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/cairoCanvas.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/canvasbase.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/mplCanvas.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/qtCanvas.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/rdMolDraw2D.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/spingCanvas.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/EState/AtomTypes.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/EState/EState.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/EState/EState_VSA.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/EState/Fingerprinter.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/EState/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FeatMaps/FeatMapParser.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FeatMaps/FeatMaps.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/FeatMaps/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Features/FeatDirUtilsRD.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Features/ShowFeats.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Features/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Fingerprints/ClusterMols.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Fingerprints/DbFpSupplier.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Fingerprints/FingerprintMols.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Fingerprints/MolSimilarity.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Fingerprints/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Fraggle/FraggleSim.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Fraggle/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/MolDb/FingerprintUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/MolDb/Loader.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/MolDb/Loader_orig.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/MolDb/Loader_sa.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/MolDb/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm2D/Generate.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm2D/LazyGenerator.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm2D/Matcher.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm2D/SigFactory.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm2D/Utils.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm2D/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm3D/EmbedLib.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm3D/ExcludedVolume.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm3D/Pharmacophore.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Pharm3D/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Scaffolds/MurckoScaffold.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Scaffolds/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Scaffolds/test_MurckoScaffold.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/SimpleEnum/Enumerator.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/SimpleEnum/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Subshape/BuilderUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Subshape/SubshapeAligner.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Subshape/SubshapeBuilder.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Subshape/SubshapeObjects.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Subshape/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Subshape/testCombined.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Suppliers/DbMolSupplier.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Suppliers/MolSupplier.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/Suppliers/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/fmcs/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/fmcs/fmcs
    • /usr/lib/python2.7/dist-packages/rdkit/Chem/fmcs/fmcs.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataManip/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataManip/Metric/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/BitEnsemble.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/BitEnsembleDb.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/BitUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/BitVect.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/HierarchyVis.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/LazySignature.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/SparseIntVect.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/TopNContainer.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/VectCollection.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/DataStructs/cDataStructs.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/DbConnection.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/DbInfo.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/DbModule.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/DbReport.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/DbResultSet.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/DbUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/StorageUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/Pubmed/PubmedUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/Pubmed/QueryParams.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/Pubmed/Records.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/Pubmed/Searches.py
    • /usr/lib/python2.7/dist-packages/rdkit/Dbase/Pubmed/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/DistanceGeometry/DistGeom.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/DistanceGeometry/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ForceField/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ForceField/rdForceField.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/Geometry/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/Geometry/rdGeometry.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/ML/AnalyzeComposite.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/BuildComposite.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/CompositeRun.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/EnrichPlot.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/GrowComposite.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/MatOps.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/ScreenComposite.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/files.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/Butina.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/ClusterUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/ClusterVis.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/Clustering.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/Clusters.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/Murtagh.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/Resemblance.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/Standardize.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Cluster/murtagh_test.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Composite/AdjustComposite.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Composite/BayesComposite.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Composite/Composite.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Composite/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Data/DataUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Data/FindQuantBounds.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Data/MLData.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Data/Quantize.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Data/SplitData.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Data/Stats.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Data/Transforms.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Data/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Data/cQuantize.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/BuildQuantTree.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/BuildSigTree.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/CrossValidate.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/DecTree.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/Forest.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/ID3.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/PruneTree.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/QuantTree.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/SigTree.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/Tree.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/TreeUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/TreeVis.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/DecTree/randomtest.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Descriptors/CompoundDescriptors.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Descriptors/Descriptors.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Descriptors/Parser.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Descriptors/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/InfoTheory/BitClusterer.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/InfoTheory/BitRank.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/InfoTheory/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/InfoTheory/entropy.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/InfoTheory/rdInfoTheory.x86_64-linux-gnu.so
    • /usr/lib/python2.7/dist-packages/rdkit/ML/InfoTheory/testBitRanker.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/InfoTheory/testCorrMatGen.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/KNN/CrossValidate.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/KNN/DistFunctions.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/KNN/KNNClassificationModel.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/KNN/KNNModel.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/KNN/KNNRegressionModel.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/KNN/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/MLUtils/VoteImg.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/MLUtils/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/ModelPackage/PackageUtils.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/ModelPackage/Packager.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/ModelPackage/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/NaiveBayes/ClassificationModel.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/NaiveBayes/CrossValidate.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/NaiveBayes/__init__.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Neural/ActFuncs.py
    • /usr/lib/python2.7/dist-packages/rdkit/ML/Neural/CrossValidate.py
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    Changelog

    2015-08-22 - Debichem Team <debichem-devel@lists.alioth.debian.org> rdkit (201503-3) unstable; urgency=medium [ Daniel Leidert ] * debian/compat: Raised to level 9. * debian/control (Build-Depends): Switched to dh-python (closes: #786180). (Standards-Version): Bumped to 3.9.6. (Depends): Dropped python-numpy and let dh_numpy handle this. * debian/rules: Added override for dh_python2 and call dh_numpy. * debian/watch: Updated after project moved to Github. * debian/patches/641788_fix_syntaxwarning.patch: Added. - Fix a syntax issue in sping/PDF/pdfutils.py (closes: #641788). * debian/patches/series: Added.

    2015-06-09 - Michael Banck <mbanck@debian.org> rdkit (201503-2) unstable; urgency=medium * debian/rules (override_dh_install): Create $(DOCDIR).

    2015-06-07 - Michael Banck <mbanck@debian.org> rdkit (201503-1) unstable; urgency=medium * New upstream release (closes: #785192). * debian/control (Description): Updated. * debian/control (Build-Depends): Added python-sphinx * debian/rules (override_dh_auto_build): New rule, build PDF user documentation. * debian/control (Build-Depends): Added doxygen and python-epydoc. * debian/rdkit-doc.dirs: New file. * debian/rules (DOCDIR): New variable. * debian/rdkit-doc.install: Only install overview presentation. * debian/rules (override_dh_auto_build): Build python and C++ API documentation with python-epydoc and doxygen, as well as HTML documentation. * debian/rules (override_dh_install): Install PDF and HTML documentation. * debian/rdkit-doc.doc-base: Reference PDF/HTML documentation and no longer the overview PDF. * debian/rules (override_dh_auto_clean): Remove files generated while building documentation. * debian/control (Build-Depends): Added texlive-latex-base, texlive-latex-recommended, texlive-latex-extra and texlive-fonts-recommended.

    2014-10-25 - Michael Banck <mbanck@debian.org> rdkit (201403-1) unstable; urgency=medium * New upstream release. * debian/patches/733359_bison3_compatibility.patch: Dropped. Fix applied to upstream. * debian/patches/series: Removed.

    2013-12-29 - Debichem Team <debichem-devel@lists.alioth.debian.org> rdkit (201309-1) unstable; urgency=low * New upstream release. [ Daniel Leidert ] * debian/control (Standards-Version): Bumped to 3.9.5. * debian/patches/733359_bison3_compatibility.patch: Added. - Fix syntax for bison 3.x to fix FTBFS (closes: #733359). * debian/patches/series: Added.

    2013-08-01 - Debichem Team <debichem-devel@lists.alioth.debian.org> rdkit (201306-2) unstable; urgency=low [ Daniel Leidert ] * debian/control (Build-Depends): Added python-imaging for pythonTestDirChem. * debian/rules (override_dh_auto_test): Fixed LD_LIBRARY_PATH to re-enable tests. Added path to rdchem.so to PYTHONPATH to fix pythonTestDirChem.

    2013-07-30 - Debichem Team <debichem-devel@lists.alioth.debian.org> rdkit (201306-1) unstable; urgency=low * New upstream release. [ Daniel Leidert ] * debian/control (Vcs-Browser, Vcs-Svn): Fixed vcs-field-not-canonical. * debian/patches/fix_ftbfs_mtsss.patch: Dropped. Fix applied to upstream. * debian/patches/series: Removed.

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