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 |
hashlookup:children-total | 44 |
hashlookup:trust | 50 |
The searched file hash includes 44 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/share/doc/python-chemfp/README |
FileSize | 904 |
MD5 | 90BD7E4D4D8381EB173D9656BC5B0B50 |
SHA-1 | 0A91DA942BACB9EB714D3F0349F3F13DE13BA39F |
SHA-256 | 69EC59A395C48902B1C15050865E5564A0A844DEC92D99A4F40FFA7D7D59200F |
SSDEEP | 24:J+YuEeoeZW8ksIANEjEGDKMyLQ4955wJLevRTC:ruEeo1JT4MqievA |
TLSH | T1DD111609725531332571CA6AE1DEE292FF11F13860DBD45DFC9E5B504395D3204F6792 |
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp/pattern_fingerprinter.py |
FileSize | 7580 |
MD5 | 7C5209B52C7F1A3EA91ECAA015CF76AF |
RDS:package_id | 182052 |
SHA-1 | 0D20EA7A9BAA4D299DCEA430F05FC97F8CC26944 |
SHA-256 | F92D88522DDC2089EE1ABA3E49D3F3D4C3B3232176B9F75F90526A6AD601430C |
SSDEEP | 96:L8DxQyWRfLks70kjDAPXVHjn9fKWRXRPpLP+ZzmTjwX+Ju2wqFzCZJtUj93PflzE:DzLiNPVn9fKGLP3TjlznCZJIVPfl9e |
TLSH | T1DDF1552C98056C13D707886F74EB600FDF1AE9271D19D476FAEC834C6F4B85492D1EA9 |
insert-timestamp | 1679426504.374329 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/lib/python2.7/dist-packages/_chemfp.so |
FileSize | 42864 |
MD5 | EC9755B869514AA647F2B7634F06B418 |
SHA-1 | 107F9CCB9BA67780C1CEBA91232073AF6DFEA6CD |
SHA-256 | 2D987FA69CDDFE2F0FDB0D1ED7F94C9221A9F895BA27B560543416FED141FB6A |
SSDEEP | 768:YCmau7rvDDSDIsoNbrFRn93OvND0TVEFu3333333333333333333333333Zvxa:YCmx7HDSDIsIbrRwDa3333333333333S |
TLSH | T1B713D440B72D4C77C1931E342A7FA3D5AB6DEE9058F5D30A2B29520B28A4E71147FE88 |
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp-1.0.egg-info |
FileSize | 1267 |
MD5 | 64DBF9A872DBB54FA69BDE5D18B5DB48 |
SHA-1 | 156E1C86FCFF32BFF088E9ED7E83B05053FDE4B9 |
SHA-256 | AC7A539C743D7055685E941E9ACF4E8933CB4F657D10964000D39EFBE6424CAC |
SSDEEP | 24:DxjLcyeo7jOjXKOZaR8I0yHDZFmUU9nEEQTvnT+z4cQIFLiA13g:Dx8yeo7jOLKaC8IftFsNEEQTvT+0cQI2 |
TLSH | T1B821950326E4ADBB13F70E49D605839A4D320B2D7BFDB85554BA064C3516C51C2BD6FD |
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp/openbabel.py |
FileSize | 12993 |
MD5 | 8FAB884D48336963CDE59921D58A8205 |
SHA-1 | 1579E5A0D24C10511AB006EFEA06135D5531E43D |
SHA-256 | 81555C3518764E116D4417D75D9ECEEDBA96B1864560D164AB58CA4D39DC3262 |
SSDEEP | 384:hULlbkj2sgTil2VbE+tzoLW9FgGNmoRFucL/cvYcXBc7e3Wq:hUzHi0VbE+xoSZhrL0vxXC7e3Wq |
TLSH | T11B42B61ECE14ADB3D75787168883D2802F15798F17F12625788C91583F42AB8DBBAFD8 |
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp/rdkit.py |
FileSize | 12963 |
MD5 | 6841F25C51815C13E01DEFD5E4089B70 |
SHA-1 | 1CE36BE5AC88B730F7F295746EAA3919D36F3EB3 |
SHA-256 | 0961A7D0FFA79F546EEC1C7E75513D28E8524EF72A9142D1C71A8E8D2811DE79 |
SSDEEP | 384:QwWt2u6dX9gyMsCjL/p7Ex09yfZYOVfftLlKPURy2H2e:QP2u6dX9VDax7Ex090o+We |
TLSH | T1C042D6094A095E33435340904DCBE5819B0869AF99B92174BDDED25C3F868B8D5F8FEC |
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp/substruct.patterns |
FileSize | 40431 |
MD5 | EA1A700B747FA0253ACCE468A1E209B9 |
RDS:package_id | 182052 |
SHA-1 | 1EFD4E349DEC54F3182091FC4A9F57BCE0793E15 |
SHA-256 | A0E6942561F0B6FCC280F4456F7B3F938980349BA086E66E103964203D3A85DE |
SSDEEP | 384:iXswdmm1HDXNHYTVlCutaUzZCc7WuP+mod1KsqY7bSFqYN1OlC2B+na5o2HCkihf:omX5/d8+F1A0L0OotWQWURP4w9U |
TLSH | T11203C1A9709D1268F1F6C3C3DEAF4A406889FFDB1A2E69CE2124D854B07257DF791903 |
insert-timestamp | 1679426504.410204 |
source | RDS.db |
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 |
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp/bitops.py |
FileSize | 462 |
MD5 | F277EAB9C62BEF054281631B5C9333D5 |
SHA-1 | 267E7E5611EC2424CCFD69A3D7F5AA1DCB3CA0C9 |
SHA-256 | 134A9F9BA6A6607D6B2ABE52B6CF597DF5BAE4F1189504EEBB1CCBD9B7C13CA3 |
SSDEEP | 12:O8+nLy6MEnxz83AEsRaVPyiRJg8lHuOTC5:Of1ZJvRaLFuT5 |
TLSH | T1D8F06502D4BA0D2F5FE0809EB9A4073B3755C70AACC2D84E30DE412E27DF80C848862A |
Key | Value |
---|---|
FileName | ./usr/bin/simsearch |
FileSize | 134 |
MD5 | B8D32DF091AF2BD6099BC030B1F2E203 |
SHA-1 | 268A92181F36BF00CD0DCCEABD9B559E9523665A |
SHA-256 | 4C718F0AC610B7BE93086096700192CD975B8B7DA16BCFEE92A92E8A1510F87C |
SSDEEP | 3:TKQWaHMneLaHTXK1+KbiIicSEABu1aaw7l/tEXAd/5:HWaHweLaO1Ox6Mdl+Q55 |
TLSH | T1CBC09B220A5E5511DEF0CD8E5470D1250A5139574E00F4D1F4F267625FCD561547514C |