Key | Value |
---|---|
FileSize | 157398 |
MD5 | 59DC263B5C70EAC49027E8F96F8822E4 |
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 | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | python-chemfp |
PackageSection | python |
PackageVersion | 1.1p1-2.1 |
SHA-1 | 3462EAFDAB7D5FBB573D6E29F02AA6BBB3F4FBB6 |
SHA-256 | F92F7E974B366AD9F82AB690996417AC4BC46DCB22C1EEFB308CDE9FEDE4D611 |
hashlookup:children-total | 55 |
hashlookup:trust | 50 |
The searched file hash includes 55 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp/fps_io.py |
FileSize | 9499 |
MD5 | 1F6A394E57CAA1EB2BE8CBE11993A4FB |
RDS:package_id | 182052 |
SHA-1 | 0CB47BACEB9FC1A64E69FD25CE20E744B9B31C72 |
SHA-256 | 141B8D2427F2CAC72087B66CFDE2B55B8658587AD95CC9025E00FEFE0BCDD6A9 |
SSDEEP | 192:UxRUHAknjbnJ1m2RmGR+kG9xajuPZf1+N+bjGQ:qKgkn3nJ1m20GITfaK |
TLSH | T10012411A5A298CDA9B53CC094ED2F30A671A381F42041568FCFCE2583F9C475D2E9ADA |
insert-timestamp | 1679426504.4015691 |
source | RDS.db |
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/bin/ob2fps |
FileSize | 224 |
MD5 | 30B23159F76E8CA06D28A87DDCC9F5F4 |
RDS:package_id | 182052 |
SHA-1 | 154EDCCA5FF29B903E8A544C670A4AFB74E88956 |
SHA-256 | 8F113C3F31B5CCA8277F10C6168F6E299514C6B7EB8ACD0C0D25B398F07B08AD |
SSDEEP | 6:J0teLG9OrJGgRaXvWDaWDcH2STL22W1WbKB6Mdl+Q55:s9OsgMXvHd9L/uB6MdEc |
TLSH | T102D02311464E6611CEC5CC4E106C74310F7527434FA4F490B0FBF392178D0300A3051F |
insert-timestamp | 1679426504.29683 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp/futures/process.py |
FileSize | 14330 |
MD5 | 0512814ADD34B66E2D792D43890B9CAC |
RDS:package_id | 182052 |
SHA-1 | 155AA578A9EA0C400B546EC4779501208FDE18E9 |
SHA-256 | 119225B6CFB1D7E33B2E6C4CBB56F29D2EA8271BAE602A4EEEEA8F0598A51844 |
SSDEEP | 192:g2R19A7iKX/lsga6r/uuts3S52wCucRirAP0PD9W6UfAh+2ViQ:g2R19AGKXOg/tSCcRA9WxS/d |
TLSH | T1FF5230E3DD2D172182E2EAA3A44AB3A7DF47591F57281060B4BCC01C2FED95691BCCE5 |
insert-timestamp | 1679426504.5288625 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp/rdkit_patterns.py |
FileSize | 5567 |
MD5 | 1E1E7036E5E71370D0E0C533FCC70695 |
RDS:package_id | 182052 |
SHA-1 | 19FD29818E8634ED4D4B511C854644E38DF27A30 |
SHA-256 | A86AAABF882F51B9316B7BD8E9361CBD8B28366F20109DDC5D270380CBDD52CF |
SSDEEP | 96:dSFptkH0BFVotg0ReLNY3oeUNfxuJaC3ylpj6nnsGS7i1X67IZD:dXLReLSoecfXC3WpWnV1KEh |
TLSH | T1FDB1446475569C12908F8598D8C6D6039F0BECA74DDC707FFAFC42A45FC7828C2A8AD9 |
insert-timestamp | 1679426504.4827166 |
source | RDS.db |
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/share/pyshared/chemfp/progressbar/__init__.py |
FileSize | 10107 |
MD5 | 5AE8484F4B5836306A9E917C73A95CEF |
RDS:package_id | 182052 |
SHA-1 | 24FAA604234C80E64DF916D9CEB2155D1F0EA115 |
SHA-256 | 7BD6B9868A0C0017CDD9BC4263463D93543357C7A3217DDB3D51FDB83C4ADAAA |
SSDEEP | 192:Au48OryIq8x5nu9BlnbGtsCACQUGcuu0Oob9fB5:Au48EpOBlnbGtF0UfDyf3 |
TLSH | T15F22E9162602963482634C0B44CAB6935B3F645FE20E5574BCFC41989FA2E714ABDFFD |
insert-timestamp | 1679426504.4545863 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/pyshared/chemfp/openeye_patterns.py |
FileSize | 8892 |
MD5 | D5AE8B33BD8CA9B7C21969F8F223F78F |
RDS:package_id | 182052 |
SHA-1 | 25CCD2448ECC85BB150CD0B7D646BA234620547E |
SHA-256 | CB911554FE89C14535A045B7D586E64B98F8159B175F05FFE082BC9B2D7D14D4 |
SSDEEP | 192:z8cuFpBdsBDIt1eZz8Y6jonG8ybLYkWVf6BBacSn4esQFP+:z8cuFpPsBDIt1eZz8xQoEVMBpSrR+ |
TLSH | T1B002850575166916854B4068E04B9543DF0EBDAB6ED4706EF6EC42246FE3C2D83BCAF8 |
insert-timestamp | 1679426504.5870423 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/man/man1/rdkit2fps.1.gz |
FileSize | 1289 |
MD5 | DD58F1630B072627F15D6CB0C3D81A15 |
RDS:package_id | 182052 |
SHA-1 | 29B9484BFC02A4108741F2B9644D13868C0BE23D |
SHA-256 | 3A78E967CB508D6459D6DC692FC800B45EB2AEDFC3F8397FE44BFEB82C9BC4ED |
SSDEEP | 24:X2CA8bJuZBKIAxBfE6Ep5V6RIEoKtG29THF9B7d2+urLz0wEPm4XXSJoA/kMV64q:X2OJEBR8lE32aEdoqLD2Lb0TnAcp4BoX |
TLSH | T19C21C8C1FC016D4F916A312C11A4E055497104071EB0D2F6F5DBEA84540EA9F79DFD1B |
insert-timestamp | 1679426504.3521583 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/bin/sdf2fps |
FileSize | 75 |
MD5 | 4CA30998F264642BDA29244D2DD0E626 |
RDS:package_id | 182052 |
SHA-1 | 2D3141916E18070F1C62CAE9984D9D4BA593C572 |
SHA-256 | D5CE4269906B2F1AC8811E02CF9C1E607C9DE6B83A83F9902B4DF9234F3AA257 |
SSDEEP | 3:TFKL9neL+LB+KCQgDXsWBdev:J0teL+1CQAfev |
TLSH | T1D3A0020F94A9B395DBDA8DCF25A42D98C6E5319B4E42F8C6C0732A2B67645509C70258 |
insert-timestamp | 1679426504.2755551 |
source | RDS.db |