| Key | Value |
|---|---|
| CRC32 | F419C859 |
| FileName | ./usr/lib/python3/dist-packages/rdkit/utils/12h.gif |
| FileSize | 2770 |
| MD5 | B93FDCE1973782F73D868A525830B19B |
| OpSystemCode | {'MfgCode': '1006', 'OpSystemCode': '362', 'OpSystemName': 'TBD', 'OpSystemVersion': 'none'} |
| ProductCode | {'ApplicationType': 'Operating System', 'Language': 'English', 'MfgCode': '924', 'OpSystemCode': '479', 'ProductCode': '919', 'ProductName': 'SuSE Linux Professional 8.2', 'ProductVersion': '8.2'} |
| RDS:package_id | 181949 |
| SHA-1 | 03AD0A09C82C356D03D68FF0FCB807641F6C78B1 |
| SHA-256 | B28EF635844D23FDC67D20078DAE5C251CB654B32CAF5D7686763E914252ADAD |
| SSDEEP | 48:NzFsFJtSJFWH6fJG0unUxTq2mVLwk1wpLqBUXQRdi5KfAx:7sFinWaGnUQBLFmTQLi5KfAx |
| SpecialCode | |
| TLSH | T13F51E7516A368E01C4C22AB9886B0F29C771F73090019B8F5592EA797EB63F4D62A120 |
| db | nsrl_legacy |
| insert-timestamp | 1679410765.759915 |
| nsrl-sha256 | rds241-sha256.zip |
| source | RDS.db |
| tar:gname | users |
| tar:uname | robind |
| hashlookup:parent-total | 61 |
| hashlookup:trust | 100 |
The searched file hash is included in 61 parent files which include package known and seen by metalookup. A sample is included below:
| Key | Value |
|---|---|
| FileSize | 3769640 |
| MD5 | 807A0AE8B46A1ECB357C41BEE59F4702 |
| PackageDescription | Collection of cheminformatics and machine-learning software 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 algorithm 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. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | python3-rdkit |
| PackageSection | python |
| PackageVersion | 202009.5-2 |
| SHA-1 | 026239E52F418C5E2DBE9604CB1AD84F892688C8 |
| SHA-256 | BC190F870F283779EF0E24BFB3F73A0C6951B8EB3E214C66B2A54829AE139BCE |
| Key | Value |
|---|---|
| FileSize | 3370016 |
| MD5 | F3121ABC694BACDC6480ADFA0F6C00A2 |
| PackageDescription | Collection of cheminformatics and machine-learning software 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 algorithm 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. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | python3-rdkit |
| PackageSection | python |
| PackageVersion | 202009.5-2 |
| SHA-1 | 072A32CCE39FEC94BACF86EE80769EE106CB95EF |
| SHA-256 | A6E01E71516A0E62A88BAC0ED09BA5DE3176292C6ECCA6CD89EA5283828D3EDA |
| Key | Value |
|---|---|
| MD5 | 6B26C8DAA8DB7F51CFD2921B42104337 |
| PackageArch | aarch64 |
| PackageDescription | Python 3 bindings for RDKit libraries |
| PackageMaintainer | Fedora Project |
| PackageName | python3-rdkit |
| PackageRelease | 12.fc33 |
| PackageVersion | 2019.03.3 |
| SHA-1 | 0FC15C46FFFB1FE791A8078B67AAD4DEB3752E43 |
| SHA-256 | A8DEEECC76A9581D73D3D295D610F1141BD13B0D2E38FAE822E6AA7456D79E8B |
| Key | Value |
|---|---|
| FileSize | 3340280 |
| MD5 | 9767B7B0B4F853ABE37F8A731166AF42 |
| PackageDescription | Collection of cheminformatics and machine-learning software 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 algorithm 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. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | python3-rdkit |
| PackageSection | python |
| PackageVersion | 202009.4-1 |
| SHA-1 | 109E05AE6738982B797B011B557D084D09549EB2 |
| SHA-256 | D86870C03FECE877F406A8126A5821B68405DDC5FBC6F1DF057148409E16C998 |
| Key | Value |
|---|---|
| FileSize | 3011932 |
| MD5 | 5B82111ABD583FCAE4E6CA98939137D0 |
| PackageDescription | Collection of cheminformatics and machine-learning software 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 algorithm 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. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | python-rdkit |
| PackageSection | python |
| PackageVersion | 201809.1+dfsg-6 |
| SHA-1 | 161DCA32C476EEC6691992F37F00E66BE09DAB77 |
| SHA-256 | 8489FE72F3F8367D1A49A3FD285B67129A7A17D61E9155E2C56EF8412416656C |
| Key | Value |
|---|---|
| FileSize | 1862116 |
| MD5 | 9291AD7CB343D256BD6DFDEB55491AF0 |
| PackageDescription | Collection of cheminformatics and machine-learning software 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 descriptors * Fragmentation using RECAP rules * 2D coordinate generation and depiction * 3D coordinate generation using geometry embedding * UFF forcefield * Calculation of (R/S) stereochemistry codes * Pharmacophore searching * Calculation of shape similarity * Atom pairs and topological torsions fingerprints * Feature maps and feature-maps vectors * Machine-learning algorithms * Gasteiger-Marsili partial charge calculation . File formats RDKit supports include MDL Mol, SDF, TDT, SMILES and RDKit binary format. |
| PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
| PackageName | python-rdkit |
| PackageSection | python |
| PackageVersion | 201309-1 |
| SHA-1 | 1851BC5CFD2ABDC4ECD16949FE7769915BEF0910 |
| SHA-256 | C63267BF64F02D395BD1949744CFA9D1C01C09D36D12102EA54EF5C60EBADE32 |
| Key | Value |
|---|---|
| MD5 | 89680E2F748E10E22013293475216B65 |
| PackageArch | x86_64 |
| PackageDescription | Python 3 bindings for RDKit libraries |
| PackageMaintainer | Fedora Project |
| PackageName | python3-rdkit |
| PackageRelease | 6.fc32 |
| PackageVersion | 2019.03.3 |
| SHA-1 | 1D248C1ED12E8E2D1BCD3ABEFD53061D3598DEB2 |
| SHA-256 | 65EDA439EB4F2F7154054F275A8ABB76DE5B0820CE45F12D1D67A5764146AE41 |
| Key | Value |
|---|---|
| MD5 | DE34B44E60FE1D6417C3E8AF4CAEDAFE |
| PackageArch | x86_64 |
| PackageDescription | Python 3 bindings for RDKit libraries |
| PackageMaintainer | Fedora Project |
| PackageName | python3-rdkit |
| PackageRelease | 12.fc33 |
| PackageVersion | 2019.03.3 |
| SHA-1 | 20C57107192F4FE53015957886367F67B56A0E61 |
| SHA-256 | 46A0FEA5B7A44BBB442415422FDD6E6A041F328CF54DD0D67D85C7B504785E56 |
| Key | Value |
|---|---|
| FileSize | 3704432 |
| MD5 | 0C35E6AB35F950752C8B874F84F335B1 |
| PackageDescription | Collection of cheminformatics and machine-learning software 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 algorithm 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. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | python3-rdkit |
| PackageSection | python |
| PackageVersion | 202009.4-1 |
| SHA-1 | 279B12F899847534BE5C086483F0C8EA981E612E |
| SHA-256 | 8F495A6913B8228D5BF432EEBDA997E80A0B9C603CF77D060EF353B91EA99C74 |
| Key | Value |
|---|---|
| FileSize | 1844144 |
| MD5 | 7E1F9B6D60352916F72D4EBE211D90EA |
| PackageDescription | Collection of cheminformatics and machine-learning software 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 descriptors * Fragmentation using RECAP rules * 2D coordinate generation and depiction * 3D coordinate generation using geometry embedding * UFF forcefield * Calculation of (R/S) stereochemistry codes * Pharmacophore searching * Calculation of shape similarity * Atom pairs and topological torsions fingerprints * Feature maps and feature-maps vectors * Machine-learning algorithms * Gasteiger-Marsili partial charge calculation . File formats RDKit supports include MDL Mol, SDF, TDT, SMILES and RDKit binary format. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | python-rdkit |
| PackageSection | python |
| PackageVersion | 201403-1 |
| SHA-1 | 2949B702383977093485E33CCBEAEC3A1FE14253 |
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