| Key | Value |
|---|---|
| FileName | ./usr/lib/python3/dist-packages/rdkit/Chem/EnumerateHeterocycles.py |
| FileSize | 12069 |
| MD5 | 94A4EFA0E0E1BC3E32DE4DB798CC31F5 |
| SHA-1 | 020C62B9B7322575103102012D0AE07441ECD9E3 |
| SHA-256 | 9F026A51C569F928690CB59C6FB741121A847A2CED1B8AEF9FB920EAF8640F1E |
| SSDEEP | 192:QepTlMel4kNinPPvZulIpyvkZpI4Ic8ossobcXL7PKcE7Ag8xfNS3uBKe0/xl:QepTljL8XvaIcG5FQbUDN/Keez |
| TLSH | T13342414434096AD35A95D0A40ADFB980EF5B24FD3B24472CB40CC99D0FAFAFD626B4E5 |
| hashlookup:parent-total | 21 |
| hashlookup:trust | 100 |
The searched file hash is included in 21 parent files which include package known and seen by metalookup. A sample is included below:
| 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 | 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 |
|---|---|
| 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 | 3112456 |
| MD5 | 033892D54A3907D4C717343B22506A35 |
| 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 | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
| PackageName | python3-rdkit |
| PackageSection | python |
| PackageVersion | 201909.1-2ubuntu5 |
| SHA-1 | 3A90747B2F8CEF6E6A9F456FFA359B5F5BEB67C6 |
| SHA-256 | 09724E618E8168166D644290C4A8ACBE835689BDBADC7BE662518347AF7A57BC |
| Key | Value |
|---|---|
| FileSize | 2720596 |
| MD5 | 9027C410DF5809058775E08785D2E1A2 |
| 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 | 4A342D5DDD9A675D8BB57287132A7B52BA1E915B |
| SHA-256 | EF1EF95F454189B192B65CE46321AC67DA08EEF68AE64022005628E38BBDD27F |
| Key | Value |
|---|---|
| FileSize | 2658008 |
| MD5 | 10D0AE3019E78F06F680E44839F4DE90 |
| 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 | 618FE1275566BEB85518E72FE1566E9ABC8EA365 |
| SHA-256 | 198BBAFCE0DE47A04120B83C4A536B442555BDE96DD1AAC0652976337A02B0AB |
| Key | Value |
|---|---|
| FileSize | 2808716 |
| MD5 | CC90710A7EA0535108AAF91A9F1CD2EF |
| 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 | 94C684BE29884C911A1910F68682A9C77F90685C |
| SHA-256 | BDB897E63875523417C71B5BD8F45BE74F869EE341CD7DD82A48ED9D6E6C76F0 |
| Key | Value |
|---|---|
| FileSize | 2572096 |
| MD5 | CED46CEA47147B9D6C1C1B98E2CA603E |
| 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 | A0573AB8159AE81A26C42FAEA4480430F9B8A0D0 |
| SHA-256 | FBED9E579BE3F992C679744A338410FC74E0BEFC5E020E489B7E4819968666CA |
| Key | Value |
|---|---|
| MD5 | 0671BB4CC0AE4839C459B529F8CADA07 |
| PackageArch | armv7hl |
| PackageDescription | Python 3 bindings for RDKit libraries |
| PackageMaintainer | Fedora Project |
| PackageName | python3-rdkit |
| PackageRelease | 6.fc32 |
| PackageVersion | 2019.03.3 |
| SHA-1 | AC8E2246F7F3500D3532488A68BF39AFDD151F55 |
| SHA-256 | EA66319414037824103CC599EC2D85869C047C8AD944828D047EC4E5EF728CDF |