| Key | Value |
|---|---|
| FileName | ./usr/lib/python3/dist-packages/rdkit/sping/PS/fontinfo.py |
| FileSize | 334 |
| MD5 | 28353D1AA0C65691C66EF8359CCEC4F5 |
| SHA-1 | 00D04D3E74EBA245B17A8D93A075F45260F10B8C |
| SHA-256 | AE60FE5692DD983EA421F85C3B549D08C47359838470B01B8A2A5F65B862BC43 |
| SSDEEP | 6:SyDbrnUmKlyNSSPlFK4mLEK4hPlKg2VK4IMK4Y3ILzWnyCJ/xP+pnysRnx8XKlih:PKl4/FK4ZK4eVK41K4Y3ILSnyCvP+png |
| TLSH | T18CE04F700468270A855738609B8D74C1CE8AC1C3A054369A65DA9343286A6B11F31E7A |
| hashlookup:parent-total | 32 |
| hashlookup:trust | 100 |
The searched file hash is included in 32 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 |
|---|---|
| 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 | 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 | 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 | 3744148 |
| MD5 | 32CF94202E52A280B30749463F0F9AB7 |
| 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 | 3CEFD094195BB4BF739B327551E155C05B85E5F6 |
| SHA-256 | C925B03DC18E9E79A97BD46B44240C7B543B3D961FDE44D2351F7ECC9A842282 |
| 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 | 3821064 |
| MD5 | A4DA70ABA3C6130DB0864CFD734EDB32 |
| 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 | 4FA177A54C98DFADBD328B235B571532EDD611E4 |
| SHA-256 | 6CB8C355B710E0154B39E6AAF0B98894576E8B8AB2923C2931EC879BE71D3394 |
| Key | Value |
|---|---|
| FileSize | 3279356 |
| MD5 | 79947E43589963C10FBDF49C8AE51247 |
| 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 | 59276D424C2463DA5124E0511F7DA154684406D5 |
| SHA-256 | D9F52BF0FE7CD78C1BDA10798F0564276D7CFCAD484C2CE5D113A9B14483C40D |