Result for 279B12F899847534BE5C086483F0C8EA981E612E

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Graph view
Children (433)

Query result

Key Value
FileSize3704432
MD50C35E6AB35F950752C8B874F84F335B1
PackageDescriptionCollection 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 molecular descriptors, including topological, compositional, EState, SlogP/SMR, VSA and Feature-map vectors * Fragmentation using RECAP rules * 2D coordinate generation and depiction, including constrained depiction * 3D coordinate generation using geometry embedding * UFF and MMFF94 forcefields * Chirality support, including calculation of (R/S) stereochemistry codes * 2D pharmacophore searching * Fingerprinting, including Daylight-like, atom pairs, topological torsions, Morgan algorithm and MACCS keys * Calculation of shape similarity * Multi-molecule maximum common substructure * Machine-learning via clustering and information theory algorithms * Gasteiger-Marsili partial charge calculation . File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit binary format.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython3-rdkit
PackageSectionpython
PackageVersion202009.4-1
SHA-1279B12F899847534BE5C086483F0C8EA981E612E
SHA-2568F495A6913B8228D5BF432EEBDA997E80A0B9C603CF77D060EF353B91EA99C74
hashlookup:children-total433
hashlookup:trust50

Network graph view

Children (Total: 433)

The searched file hash includes 433 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/lib/python3/dist-packages/rdkit/sping/PS/fontinfo.py
FileSize334
MD528353D1AA0C65691C66EF8359CCEC4F5
SHA-100D04D3E74EBA245B17A8D93A075F45260F10B8C
SHA-256AE60FE5692DD983EA421F85C3B549D08C47359838470B01B8A2A5F65B862BC43
SSDEEP6:SyDbrnUmKlyNSSPlFK4mLEK4hPlKg2VK4IMK4Y3ILzWnyCJ/xP+pnysRnx8XKlih:PKl4/FK4ZK4eVK41K4Y3ILSnyCvP+png
TLSHT18CE04F700468270A855738609B8D74C1CE8AC1C3A054369A65DA9343286A6B11F31E7A
Key Value
FileName./usr/lib/python3/dist-packages/rdkit/Chem/rdChemReactions.cpython-39-x86_64-linux-gnu.so
FileSize1437408
MD533581112D2688943E5F600A317A876BA
SHA-10144981C14861A89025FFC30B535F3635A3C51A8
SHA-256EFD37F4BFE3ABC86BE37A2CD9299A9E9C9C1EF8AA3A0790C0C5FBCBC52C29475
SSDEEP24576:Sa+u17WIXOELpZjWCtXG1t9G1QijskuHgt9G1zz8zlleNgSz8ZBiRZBiRrbUrm42:J+u17WIXOELpZjWCtXG1t9G1QijskuH4
TLSHT1EE65E7177881BCDBC887B1B9014B57F49835BED5966038EAB1D8C721BDC2B592B393C2
Key Value
FileName./usr/lib/python3/dist-packages/rdkit/Chem/rdDeprotect.cpython-39-x86_64-linux-gnu.so
FileSize225216
MD5F2174B576C316591EE24BD0E51E8F794
SHA-101A0A8505E4449EDBE5F6AAA1FECC6EA74812BD3
SHA-2565D1C0DF42D2BD86CC448B95F9EE3BBACC63089036EF0A26B8BAF200EA36D89FE
SSDEEP6144:JbVaAVrF/+g9LNO+3GDV/qAa9OYy+bt9GpK0BtMcYME0hsY4hfG9:XrF/+U2Obt9GM0IcjghfG9
TLSHT1CF24A532B4D0BCAFCC8690B9418BCBA9B671BDD6876036D7A0C8CA269C43F155F25753
Key Value
FileName./usr/lib/python3/dist-packages/rdkit/ML/InfoTheory/rdInfoTheory.cpython-39-x86_64-linux-gnu.so
FileSize146720
MD50EA49A2DA1F7CD219CCB424BDAEFBAF4
SHA-101C42D5991D2A0EAB790D1C8B3C3F5A0D41705EF
SHA-256ECC51DA0138FAF1A6ED3DF0FB54A3334276E762FF1C6F43A403E106920CEF5B7
SSDEEP3072:+bAEVt9e+dd/hYUEFH7/WYD1gHLNT/oIlTGA3H4r:2fVt9e+dd/hYUEFH7d1sysH4r
TLSHT1A6E3E80B3941ECBBC58AA47882AF83A5A734FDC9C7207BE671C8D7765C02B055F69742
Key Value
FileName./usr/lib/python3/dist-packages/rdkit/Chem/PandasTools.py
FileSize29701
MD5D3F6B1081920F80B9DA554228A5506C4
SHA-10316463284DE1EDF3876C16606CEC44354386556
SHA-25685B7AF0ACFD84D43770C9865E6368723E5D734A98AA49E4B61FDCED03E9AF596
SSDEEP768:Jw1x+VD69qhKrcBeKmavp10JV3ITKOcxlEVFFjql:m1x+VD69qhKrcBeKmavp1gVrORFIl
TLSHT111D2C81FE5A12634C39340F4A5CFC845AB167C5B696426B4BCDC835C2B85B2CA1BDBBC
Key Value
FileName./usr/lib/python3/dist-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil
FileSize5143
MD5121501B40E3E81470020CA6627C1D4BA
SHA-10376F44189FF9695BD61EB985B811F02E24035EE
SHA-256CA5A248449D1FC61CBC86FAAC37A4C1B614832E0AE43A6CC5AA68305ACBF64D0
SSDEEP48:4U2qllffXtbUsMXTWuAlRw8KoUaLLp90suDVWsgOcfcNVSgQs8np2rZHYDVRAXx1:4UDfP4F9Ep9vEWsg9kIgQhiYDV6n
TLSHT19CB10327B3D0A348C83142B929FBC73A7B91F9C8D6DC1A1B34D0B92C94CD5557A48EAC
Key Value
FileName./usr/lib/python3/dist-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm
FileSize1370
MD5CF490A2B3480059124C849A1E7BAEBBE
SHA-103A60D72B270CF5F39CFE18F283BBF8F4E2BA5C0
SHA-2569B17A754E4FE1678AF62BC8E1983794A8C378F801A4481D205DF5290EAE831AC
SSDEEP24:LeH3aSPw2u1SyR/fwPuqC5OnexUh9EZ9bt2XTMRDeNOqDEMKiBcmkDur08I/MRdS:Leqgw2u1Sy5nN5OnZETt2jMozDcykCYz
TLSHT17A21D83B61714E6DD694698EDD2F120CB43A40A22566488BFD5FC3363D3453352355AA
Key Value
CRC32F419C859
FileName./usr/lib/python3/dist-packages/rdkit/utils/12h.gif
FileSize2770
MD5B93FDCE1973782F73D868A525830B19B
OpSystemCode362
ProductCode919
RDS:package_id181949
SHA-103AD0A09C82C356D03D68FF0FCB807641F6C78B1
SHA-256B28EF635844D23FDC67D20078DAE5C251CB654B32CAF5D7686763E914252ADAD
SSDEEP48:NzFsFJtSJFWH6fJG0unUxTq2mVLwk1wpLqBUXQRdi5KfAx:7sFinWaGnUQBLFmTQLi5KfAx
SpecialCode
TLSHT13F51E7516A368E01C4C22AB9886B0F29C771F73090019B8F5592EA797EB63F4D62A120
dbnsrl_legacy
insert-timestamp1679410765.759915
nsrl-sha256rds241-sha256.zip
sourceRDS.db
tar:gnameusers
tar:unamerobind
Key Value
FileName./usr/lib/python3/dist-packages/rdkit/ML/KNN/KNNRegressionModel.py
FileSize1998
MD55EDA8DE31BDCF592A40C45F708498B16
SHA-103D17AE9F0E71F3824946174ECA532E330114C40
SHA-256EC0889C96AD5223AB230A3313D521A787BE57CE405A09EF055E6F3DAC7AFC847
SSDEEP48:t8FKvMjaFKvlDAbIMg8By9pr2dWZAziu4B1Ml8x/mqDh4P:t8FKvMjaFKvlDAbIMg8By9prc8Az0zO1
TLSHT1824101359355A421F763A4BF28CA859A43E9D817C29A5E3874FC875C7F0240372B0FD5
Key Value
FileName./usr/lib/python3/dist-packages/rdkit/VLib/Node.py
FileSize4826
MD5491840F8BFF2A9CBAB887B9DDCF8830A
SHA-104B4064111F81CD9F0DE9900D36EF2855DEEF2F5
SHA-256EB44AAC6A90086985CD61DFAB8D99D72649B6F78AC89EEC202C7A858A8E57165
SSDEEP96:ydhwoJE4OJ+GN08isNOSs8KUsNsvSjPbpoElf:yH5Wvhvm1f
TLSHT178A14515ADD2FFF4AA1BCAF6106FD041F2179067A289087C765E767B8F5252006EF0AC





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