Parents (Total: 16)

The searched file hash is included in 16 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	5445688
MD5	C685A367407880E9993C0A2F0E6E7D9D
PackageDescription	Collection of cheminformatics and machine-learning software (documentation) RDKit is a Python/C++ based cheminformatics and machine-learning software environment. . This package contains the documentation.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	rdkit-doc
PackageSection	doc
PackageVersion	201603.5+dfsg-1ubuntu1
SHA-1	1CA767E4DEB3F13ABF6EB79BC3BAB0AFAE4F66A0
SHA-256	35761085B9C2755F03FEFADA0CA43C2BD635481B4E9444057CBFE7C815EE0AEC

Key	Value
FileSize	3168172
MD5	E94B550F021398F81BFC5E7F205FC075
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 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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	python-rdkit
PackageSection	python
PackageVersion	201603.5-2
SHA-1	30940540678E101A73D6014A22146C152C35F89A
SHA-256	8DEC5DDE869204FE8821990B2A78F23E12AF19E8CFDC3509FDE4CE663D0C7CD3

Key	Value
FileSize	5455482
MD5	11312B15A61C6192767D5FDC6DFF1F90
PackageDescription	Collection of cheminformatics and machine-learning software (documentation) RDKit is a Python/C++ based cheminformatics and machine-learning software environment. . This package contains the documentation.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	rdkit-doc
PackageSection	doc
PackageVersion	201503-3
SHA-1	30E98E44B610414CF65EE611E79B0C5977E335A5
SHA-256	0DE44C8AE3A087A4A0070AE75A227F7345B8C5834C91E3C5B4EB50D5BF898152

Key	Value
FileSize	3371876
MD5	D0918ED1E48F5743752EF5ED2A2E5497
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 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.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	python-rdkit
PackageSection	python
PackageVersion	201603.5+dfsg-1ubuntu1
SHA-1	5AC2BE0014E36C9522CD94D6583CA42036FF3ABE
SHA-256	DFECA2C05A81A0AB5965DF1083AD9FA7FA156A16A1508DE0A4EDB5B71B3981D3

Key	Value
FileSize	3265492
MD5	16D215E4D84188F14F808FDA30C3BF49
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 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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	python-rdkit
PackageSection	python
PackageVersion	201603.5-2
SHA-1	5BB6EECC43A34E1F53ED7E9BB2C35CF14CE37D33
SHA-256	D2641E4AE0024CECFF47C3F5F7FF4353883FA4A8D31D515A9574842A444832BC

Key	Value
FileSize	3140254
MD5	A11934D7F5DB13014E385714FBB87CAD
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 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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	python-rdkit
PackageSection	python
PackageVersion	201603.5-2
SHA-1	6611C37D877BFAED2CD228B22C5BE7CE8F4510D9
SHA-256	F373E98D8E24CBB5F63804BC3B6D9B7DE2D7BD430FFCA5D781152C34DCA59E4D

Key	Value
FileSize	3380024
MD5	260688EB61412C3A54C00A2168514774
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 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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	python-rdkit
PackageSection	python
PackageVersion	201603.5-2
SHA-1	690910D8777BA2F59C6C19D2F98117F118AAAC14
SHA-256	843A24EB26AB2062933B2D403B6801B703FE563FD48BC58264D4A64C4FC443EF

Key	Value
FileSize	3145442
MD5	53AF53EF34E4C37C0CF96D5B4673AA0D
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 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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	python-rdkit
PackageSection	python
PackageVersion	201603.5-2
SHA-1	6C9F9CF68DFDEDB83C7C478100A1B463E39A5325
SHA-256	215897EFDCDFFED856A95AA5265D08396E3503AEEC6C26BF271416D897D2D28F

Key	Value
FileSize	5483586
MD5	CDA5E4696AF99032F6E1145C6EE27689
PackageDescription	Collection of cheminformatics and machine-learning software (documentation) RDKit is a Python/C++ based cheminformatics and machine-learning software environment. . This package contains the documentation.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	rdkit-doc
PackageSection	doc
PackageVersion	201603.5-2
SHA-1	85ADA97B5D4AA4B4BC0B616F7E07566B3284ABB1
SHA-256	37A70E7A1894E936C90FE6F4549EFBCE645D80598DC9638397C0305A0F13BA19

Key	Value
FileSize	3196258
MD5	63B69830E2562372DC14721D182A96B4
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 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.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	python-rdkit
PackageSection	python
PackageVersion	201503-3
SHA-1	99CE791C1BCEB3EADCAC6338C817FE7F1882DD4F
SHA-256	51E5DF9B4AD9A8F2E47FB20EEBF8E8F308B8688B23A1C9054FBE40954806B4AB