Parents (Total: 4)

The searched file hash is included in 4 parent files which include package known and seen by metalookup. A sample is included below:

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	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	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