Parents (Total: 6)

The searched file hash is included in 6 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	2023844
MD5	0C5E38102DD3EC02E7A390FC54007564
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	8F3B36553B20BB2E2DD29C941AD873302A4606EB
SHA-256	451F1EAD6A8401FD0D4AA973666F633796E944C0919FCC8E51629056BE9CB9D7

Key	Value
FileSize	1836048
MD5	A4C5687593CDFEB33438D5D80C042AB3
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	CE8C5DBE931DECA377F8AC7CC3EDCE550AD492ED
SHA-256	E0FCC26D4942A09D18BEF7F19370FBBB3316AAFEE701FA6C74D1454AF8B7FC04

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
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
SHA-256	8C59850342EF223ADBFE2F7E6E73BBC41B43F5E8B683C337C6E22914810DA48A

Key	Value
FileSize	2005796
MD5	1A0D95948BC0A88469F9CDA7C4BB310F
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	8FBF146CD638ED70634A1C0D6777AE491D3E9AEE
SHA-256	72B5561B67434F5E47631B3691B7EEF815A122EEF666FB89C5EF4CD16D4EAB50

Key	Value
FileSize	1896762
MD5	5121AB1C0EB922ADDC0D75B4A3A83132
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	5D422A3A1315F85B173F658F03BD48FD7C3BFE9A
SHA-256	128B82BC9A3D12FD28A027E3117FFF5F0A251F0D78CB381B85F114028AE93FE6