Key | Value |
---|---|
FileName | ./usr/bin/rdkit2fps |
FileSize | 135 |
MD5 | 4D645206F8631E8A5D289FAA5E2E7CC3 |
SHA-1 | 250A810A2456C37E50EF4ECB51F8E9D302F758EC |
SHA-256 | 58DE18C79D96E2795500732382E5F4196A03A4F893909281439309861850EAEF |
SSDEEP | 3:TKQWaHMneLaHTXK1+KUvPoKBcSEABu1aaw7l/tEXAd/x:HWaHweLaO1UvPoKB6Mdl+Q5x |
TLSH | T1C3C02B210A5E4C00DFC0CE8D403080310D5034974D00F4C0F4F123224FCD091483020C |
hashlookup:parent-total | 5 |
hashlookup:trust | 75 |
The searched file hash is included in 5 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileSize | 115772 |
MD5 | 734A70832F4F6B881BC19312F1DA12BF |
PackageDescription | Cheminformatics fingerprints file formats and tools Chem-fingerprints is a set of formats and related tools for the storage, exchange, and search of cheminformatics fingerprint data sets. . It translates fingerprints from the OpenBabel and RDKIT and cheminformatics packages (as well as the proprietary OEChem package) into the binary FPS format. . Besides python modules, it provides the following tools: . * sdf2fps - Extract fingerprint data from SD tags * ob2fps - Use OpenBabel to generate fingerprints from structures * rdkit2fps - Use RDKit to generate fingerprints from structures * oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures * simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches between two FPS files |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | python-chemfp |
PackageSection | python |
PackageVersion | 1.0-1 |
SHA-1 | CF78A9B6D2BF6985235A04ABBFD101BB0ACF8B65 |
SHA-256 | C05979187A4CBA257F6717198BEDCDAE42B630B093B35DE270EBB64DE5F19359 |
Key | Value |
---|---|
FileSize | 113804 |
MD5 | 3CAE5304D2D0B283A8891FF2AD04212F |
PackageDescription | Cheminformatics fingerprints file formats and tools Chem-fingerprints is a set of formats and related tools for the storage, exchange, and search of cheminformatics fingerprint data sets. . It translates fingerprints from the OpenBabel and RDKIT and cheminformatics packages (as well as the proprietary OEChem package) into the binary FPS format. . Besides python modules, it provides the following tools: . * sdf2fps - Extract fingerprint data from SD tags * ob2fps - Use OpenBabel to generate fingerprints from structures * rdkit2fps - Use RDKit to generate fingerprints from structures * oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures * simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches between two FPS files |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | python-chemfp |
PackageSection | python |
PackageVersion | 1.0-1 |
SHA-1 | 0B0387137B0FC77534CB68D7611D96AE23CECE6A |
SHA-256 | DD97AB2683A7DC09C11DCF218D2C20AE47AD4BC6A9E7A09ADB9E821A86B60A51 |
Key | Value |
---|---|
FileSize | 116652 |
MD5 | EA3A735265BB407E4109B806417BA623 |
PackageDescription | Cheminformatics fingerprints file formats and tools Chem-fingerprints is a set of formats and related tools for the storage, exchange, and search of cheminformatics fingerprint data sets. . It translates fingerprints from the OpenBabel and RDKIT and cheminformatics packages (as well as the proprietary OEChem package) into the binary FPS format. . Besides python modules, it provides the following tools: . * sdf2fps - Extract fingerprint data from SD tags * ob2fps - Use OpenBabel to generate fingerprints from structures * rdkit2fps - Use RDKit to generate fingerprints from structures * oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures * simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches between two FPS files |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | python-chemfp |
PackageSection | python |
PackageVersion | 1.0-1 |
SHA-1 | C61AA86964267AE453449A71721AD32B6EB5190D |
SHA-256 | CF30736427CCDBA606476B8577EA49FBAAE35C76771CF330125EF571B06CDD35 |
Key | Value |
---|---|
FileSize | 118712 |
MD5 | C96EE2A734F501665C9BB28D89B8635D |
PackageDescription | Cheminformatics fingerprints file formats and tools Chem-fingerprints is a set of formats and related tools for the storage, exchange, and search of cheminformatics fingerprint data sets. . It translates fingerprints from the OpenBabel and RDKIT and cheminformatics packages (as well as the proprietary OEChem package) into the binary FPS format. . Besides python modules, it provides the following tools: . * sdf2fps - Extract fingerprint data from SD tags * ob2fps - Use OpenBabel to generate fingerprints from structures * rdkit2fps - Use RDKit to generate fingerprints from structures * oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures * simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches between two FPS files |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | python-chemfp |
PackageSection | python |
PackageVersion | 1.0-1 |
SHA-1 | 88D38B4B8402848CDD197AC022CDF8B97EE6E7B0 |
SHA-256 | 23788C0613903F1B5A9AC7A42B1A9E310FC07D626B21AC727F7E77F84A93B253 |
Key | Value |
---|---|
FileSize | 116568 |
MD5 | 489F4695149059F47D2869994DF2E549 |
PackageDescription | Cheminformatics fingerprints file formats and tools Chem-fingerprints is a set of formats and related tools for the storage, exchange, and search of cheminformatics fingerprint data sets. . It translates fingerprints from the OpenBabel and RDKIT and cheminformatics packages (as well as the proprietary OEChem package) into the binary FPS format. . Besides python modules, it provides the following tools: . * sdf2fps - Extract fingerprint data from SD tags * ob2fps - Use OpenBabel to generate fingerprints from structures * rdkit2fps - Use RDKit to generate fingerprints from structures * oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures * simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches between two FPS files |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | python-chemfp |
PackageSection | python |
PackageVersion | 1.0-1 |
SHA-1 | 27B4A07C3B571091800272CE61565F4B139D3D12 |
SHA-256 | 4214AD8686B0F40950673AD68B118DF25C2064113EEBE6940E4709019402D31A |