| Key | Value |
|---|---|
| FileName | ./usr/lib/python2.7/dist-packages/rdkit/utils/fileutils.py |
| FileSize | 1081 |
| MD5 | 02680E62615874A4C7A3484BED6EB641 |
| SHA-1 | 01C2BA089409B03FA6D7BFB1FF042F19EC3A0D07 |
| SHA-256 | CBC80888D59C343B7459D5CD478A8FA30C99DB7654B4F6352E0BEFB3CADF82FC |
| SSDEEP | 24:9KW7iEPlS3mu/UXvdr3s2oXZMVQrNRWBX6OCI:9Ka8UV8vvrNIoOj |
| TLSH | T1A911897B1D9214449DE28136A1EE30C45627D5B73B112DB1F9DEC434AF402B8AAF92EA |
| hashlookup:parent-total | 6 |
| hashlookup:trust | 80 |
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 |