Parents (Total: 3)

The searched file hash is included in 3 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	3209362
MD5	597A2976EF23A0322B6A01C6E0A12C1F
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	99F06B377F9CD7EBB67CB8BA5B798A6C1FC8C6FE
SHA-256	6D5508F3429AB83273078049B70959A15A0B5EAF61D0A40D0663F26B7ED82000

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	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