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python3-rdkit

Collection of cheminformatics and machine-learning software

Packages / Debian 12 (Bookworm) / python / python3-rdkit

[Source: rdkit]

Package: python3-rdkit (202209.3-1)

Maintainers:

Debichem Team

External Resources:

Homepage: [www.rdkit.org]

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Collection of cheminformatics and machine-learning software

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Download python3-rdkit

ArchitecturePackage SizeInstalled SizeFiles
arm643.9 MiB32 MiB[list of files]

Package file paths (512)

Showing the first 250 sorted package-associated paths. Use file search to locate a specific path.

  • /usr/lib/python3/dist-packages/rdkit/Avalon/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/AllChem.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/AtomPairs/__init__.py
  • /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/BRICS.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/BuildFragmentCatalog.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/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/__init__.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/Crippen.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Descriptors3D.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Descriptors.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/aggCanvas.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/cairoCanvas.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/canvasbase.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/FreeSans.ttf
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/InteractiveRenderer.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/IPythonConsole.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/MolDrawing.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/mplCanvas.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/qtCanvas.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/rdMolDraw2D.cpython-311-aarch64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/rdMolDraw2D.cpython-311-x86_64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/similarityMap1_out2.svg
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/similarityMap1_out.svg
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/SimilarityMaps.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Draw/spingCanvas.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/DSViewer.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/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/FastSDMolSupplier.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/FeatFinderCLI.py
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  • /usr/lib/python3/dist-packages/rdkit/Chem/FeatMaps/FeatMaps.py
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  • /usr/lib/python3/dist-packages/rdkit/Chem/FeatMaps/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Features/FeatDirUtilsRD.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Features/__init__.py
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  • /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/__init__.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/fmcs/fmcs
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  • /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
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  • /usr/lib/python3/dist-packages/rdkit/Chem/MolStandardize/standardize.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/MolStandardize/tautomer.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/MolStandardize/test_standardizer.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/MolStandardize/utils.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/MolStandardize/validate.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/MolStandardize/validations.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/MolSurf.py
  • /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/PandasPatcher.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/PandasTools.py
  • /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/__init__.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/Pharm3D/EmbedLib.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Pharm3D/ExcludedVolume.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Pharm3D/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/Chem/Pharm3D/Pharmacophore.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/rdAbbreviations.cpython-311-aarch64-linux-gnu.so
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  • /usr/lib/python3/dist-packages/rdkit/Chem/rdchem.cpython-311-aarch64-linux-gnu.so
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  • /usr/lib/python3/dist-packages/rdkit/Chem/rdDepictor.cpython-311-aarch64-linux-gnu.so
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  • /usr/lib/python3/dist-packages/rdkit/DataManip/Metric/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.cpython-311-aarch64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.cpython-311-x86_64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/DataStructs/BitEnsembleDb.py
  • /usr/lib/python3/dist-packages/rdkit/DataStructs/BitEnsemble.py
  • /usr/lib/python3/dist-packages/rdkit/DataStructs/BitUtils.py
  • /usr/lib/python3/dist-packages/rdkit/DataStructs/cDataStructs.cpython-311-aarch64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/DataStructs/cDataStructs.cpython-311-x86_64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/DataStructs/HierarchyVis.py
  • /usr/lib/python3/dist-packages/rdkit/DataStructs/__init__.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/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/DbReport.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/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/Dbase/StorageUtils.py
  • /usr/lib/python3/dist-packages/rdkit/DistanceGeometry/DistGeom.cpython-311-aarch64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/DistanceGeometry/DistGeom.cpython-311-x86_64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/DistanceGeometry/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/ForceField/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/ForceField/rdForceField.cpython-311-aarch64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/ForceField/rdForceField.cpython-311-x86_64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/Geometry/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/Geometry/rdGeometry.cpython-311-aarch64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/Geometry/rdGeometry.cpython-311-x86_64-linux-gnu.so
  • /usr/lib/python3/dist-packages/rdkit/__init__.py
  • /usr/lib/python3/dist-packages/rdkit/ML/AnalyzeComposite.py
  • /usr/lib/python3/dist-packages/rdkit/ML/BuildComposite.py

Field source: Debian 12 (Bookworm) main arm64 revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00

Use this package

OpenFactory can boot this operating system in a browser VM, or start a build that includes the native package name from this record.

Versions, suites, and repositories

Each row is recorded package-index metadata for one version, architecture, suite, and repository. Names, URLs, and sizes are source-reported; a link is a potentially mutable retrieval location, not an OpenFactory redistribution claim or proof that OpenFactory retained the artifact bytes.

VersionReleaseArchitectureRepositoryPackage sizeInstalled sizePublisher repository artifact
202209.3-1bookworm / mainarm64Debian 12 · main · arm643.9 MiB32 MiBpool/main/r/rdkit/python3-rdkit_202209.3-1_arm64.deb

Field source: Debian 12 (Bookworm) main arm64 revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00

Checksums and observation dates

For an APT source, signature verification authenticates the repository metadata chain and the Packages index containing this source-reported artifact digest. It does not certify package safety.

202209.3-1 / arm64Observed Sep 1, 2026 to Sep 1, 2026

Verification status: Metadata observed; artifact bytes were not independently fetched or hashed by this catalog import. The digest below is source-reported.

Source-reported sha256: 50e693f7abfc339bddedaa865ff0df8a6701913f74740406b5cef5a439f17713

After downloading that exact artifact, compare its bytes with the source-reported expected digest:

printf '%s %s\n' '50e693f7abfc339bddedaa865ff0df8a6701913f74740406b5cef5a439f17713' 'python3-rdkit_202209.3-1_arm64.deb' | sha256sum --check --strict -

A match establishes equality with the repository metadata value. It does not establish safety or catalog-side artifact retrieval.

Field source: Debian 12 (Bookworm) main arm64 revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00

Catalog record completeness

The completeness score measures metadata coverage, not software quality, security, compatibility, or suitability.

Summary and description
25/25
Artifact path and source digest
25/25
Dependency metadata
15/15
Package-file index
15/15
Homepage
5/5
License text
0/5
Source package or maintainer
10/10

Recorded total: 95/100

Field source: Debian 12 (Bookworm) main amd64 revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5, Debian 12 (Bookworm) main arm64 revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00. The cross-OS mapping is catalog-derived from the source-reported homepage; it does not establish authorship or publisher identity

Sources and provenance

Field-source links above resolve here. Each source entry names the metadata publisher, trust tier, exact snapshot revision, signature result, and observation time; catalog-derived mappings are labeled separately.

  • Authoritative source; repository metadata signature verified, revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5

    Signature verification covers the configured repository metadata chain. It does not certify that the package is safe or suitable.

    Repository-signature verification record
    Signed-object SHA-256
    77737fa4b34f2693e982cc9ee35736816c35a7778fc2d326cc1bbf5b301fe1aa
    Signer fingerprint
    4CB50190207B4758A3F73A796ED0E7B82643E131
    Keyring revision
    debian-archive-keyring.gpg
    SHA-256 506b815cbb32d9b6066b4a2aa524071e071761e7e7f68c3ac74f3061ba852017
    Tool and policy
    gpgv (GnuPG) 2.4.9
    openfactory-software-catalog-signature-v1
    Verification time
    Sep 1, 2026
    Signed Release → package-index hash linkage

    Path: main/binary-amd64/Packages.xz
    Expected SHA-256: 9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5
    Observed SHA-256: 9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5
    Result: match verified

  • Authoritative source; repository metadata signature verified, revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00

    Signature verification covers the configured repository metadata chain. It does not certify that the package is safe or suitable.

    Repository-signature verification record
    Signed-object SHA-256
    77737fa4b34f2693e982cc9ee35736816c35a7778fc2d326cc1bbf5b301fe1aa
    Signer fingerprint
    4CB50190207B4758A3F73A796ED0E7B82643E131
    Keyring revision
    debian-archive-keyring.gpg
    SHA-256 506b815cbb32d9b6066b4a2aa524071e071761e7e7f68c3ac74f3061ba852017
    Tool and policy
    gpgv (GnuPG) 2.4.9
    openfactory-software-catalog-signature-v1
    Verification time
    Sep 1, 2026
    Signed Release → package-index hash linkage

    Path: main/binary-arm64/Packages.xz
    Expected SHA-256: 2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00
    Observed SHA-256: 2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00
    Result: match verified