Result for 5BB6EECC43A34E1F53ED7E9BB2C35CF14CE37D33

Query result

Key Value
FileSize3265492
MD516D215E4D84188F14F808FDA30C3BF49
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 alogrithm 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>
PackageNamepython-rdkit
PackageSectionpython
PackageVersion201603.5-2
SHA-15BB6EECC43A34E1F53ED7E9BB2C35CF14CE37D33
SHA-256D2641E4AE0024CECFF47C3F5F7FF4353883FA4A8D31D515A9574842A444832BC
hashlookup:children-total1248
hashlookup:trust50

Network graph view

Children (Total: 1248)

The searched file hash includes 1248 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/lib/python2.7/dist-packages/rdkit/Chem/Lipinski.py
FileSize3980
MD54A778FD5778014188E76B2127929A38F
SHA-10012808A9C732CAFF154B96C56744A498887DC78
SHA-256157972EB01A09A500FAF9EFEA4D0008C22222C044E59C68EB1D9DC3F3ED281A6
SSDEEP96:vrwvhwnKiTTKTDgVFOaOoBe1/eLMlm/7QqsiKT45+v:DQqKeTKHMFOaOB51lYErimS+v
TLSHT13C81B41EACF976D11E42C2D16A1EF2D5CB0629A72856C51FB0DFB1082743ED8897ECC8
Key Value
FileName./usr/share/doc/rdkit/html/api/rdkit.Chem.Pharm2D.SigFactory-pysrc.html
FileSize98172
MD5A740557CF2EB473DD34BE9EFCC1826BF
SHA-1004D8CE2AADE43631D14914D8ABF7A509C188555
SHA-2561C189274191EE02597E1293044A98CAC3EDC22086FBEFE4920B401BC91BAB21F
SSDEEP384:tvx0iYaCuBExxJ3L07x+XMqBhfAVeLKXblqzQWRgthstGlEeH7l9/O15tfcyPHeJ:Jx8LjzyvPtYtmpMR8x
TLSHT169A3C0906DC9FA3F078359D8C5267F2436CEE8CAC5690919ADFDA2630343DBB7946930
Key Value
FileName./usr/share/doc/rdkit/html/api/rdkit.Chem.Pharm2D.Generate-module.html
FileSize11334
MD56BA7B92E12736DB7FC90BFD94476B333
SHA-1008402D410AFE709FC9EAB399C8F8B5C1EDC8995
SHA-2564F66E8BD4A6BC0055415F1A391029214D8C1ED381886A74B8854AA5C280B7DDD
SSDEEP192:tFxDHDX/3NlL1bk+F3b5yUBVrGaqUh1AhHDX/3o8rwM9:tFx3Nk+F3bl7J8L9
TLSHT126325400DEE0727B486798E6D2911FEB9EE2849BCB811410F5BDA1360FCEF44662783D
Key Value
FileName./usr/share/doc/rdkit/html/api/toc-rdkit.Chem.Fingerprints.SimilarityScreener-module.html
FileSize1426
MD5D9D64911BC5286FE7B1F15ABC86DFFD5
SHA-101394E6D8990E05D1D17F95532E54B83D4AA6749
SHA-2569F99F38EFE1537D381CAC38A695CB9633EB856733AAFFFAD1EEDAB471310FD3E
SSDEEP24:2d+MKme5bOSJDlsV4NkTCCABUvvjZNaFPMV35Krts1WA4HQfP4j:cKbRxDNQAa/t35Ky1WA4HQoj
TLSHT17D211E108C90C67190898BD3E3A2F615C8B380289684E80DF7DE51AFE74AF54CB933DB
Key Value
FileName./usr/share/doc/rdkit/html/api/toc-rdkit.SimDivFilters-module.html
FileSize1124
MD5DC2AFAD1C2DA29458C29246654D76BF4
SHA-10155E3A585CA94EA92E1EA6ACF79281E0CB59BF3
SHA-2565629C5B0722D3263E9C8FE8E27F203694E392A8D51F24B18CE8901B927DF9452
SSDEEP24:2d+MKme5bNSJDlsV4NkTC/fAHvvjZNaFPMV35Krts1WA4HQfP4j:cKbExDNZfA/t35Ky1WA4HQoj
TLSHT145216601DDA0D24784D155E4FBA1F121D4B1D02D87C0C84CF6DE908E3BABB08C8A33E9
Key Value
FileName./usr/share/doc/rdkit/html/api/toc-rdkit.Chem.EState-module.html
FileSize965
MD58899BE54E65CE7D637648F3C43305D66
SHA-1017A39D7EEF02193C5E13546AF9823E3BBF1753A
SHA-256CA257C9DD8179E01B95A00D859A816C4546B7814392E0CF735D998942C9C0A1F
SSDEEP24:2d+MKme5bDSSJDlsV4NkTCXavvjZNaFPMV35Krts1WA4HQfP4j:cKbD1xDNI/t35Ky1WA4HQoj
TLSHT1B0112102AC51D245C4D259E1EBA2F122D4A2D12E43C4D84CF6EE805E67DA7488C6B2EA
Key Value
FileName./usr/share/doc/rdkit/html/api/rdkit.Dbase.DbReport.RDImageTransformer-class.html
FileSize10002
MD5EA5812901A73712FDF1F72ACF12837BF
SHA-101BE026C9024E337DE2B2D17F4878BDF4B90D134
SHA-256EAECA365E0CD7671AE54320552153BC991D69A9F1DEE0A44838AC2471B0364B7
SSDEEP192:tuxDHDX/3NqI121av3Q/xtYC1hHDX/3o8rwM9:tuxJTAXc8L9
TLSHT1AB225100DAF0736B842690DAD3E05F9B6ED684ABCB421454F9BDA2760FCDF48251393D
Key Value
FileName./usr/lib/python2.7/dist-packages/rdkit/ML/ScreenComposite.py
FileSize54916
MD5F3383B5A0C32ABE317686284D27F3ADA
SHA-1020133D93C3AA1698015C1DBCB16816199AB8256
SHA-25668C30A16CC7D14A1B8CDEA174B08E93858329C918EB8E3584E20AA94FD0CCA8C
SSDEEP768:Kpx0AkO1Z6meCYRmRtn3gYhy+7FyZFTOJh:4TGCYRm37FyZFTOJh
TLSHT11C33A571FD532A6DE303987D78DAC2472335F91745402431BAED82281F8AA35B7B2AF5
Key Value
FileName./usr/share/doc/rdkit/html/api/rdkit.ML.AnalyzeComposite-module.html
FileSize9855
MD5F88BFD3CFD67CCFF1FFE41C8BF92A42D
SHA-102363061764A3B659A753F39F8C35116B324A75F
SHA-256206590278B4F4EF1B127000A19DA04E11C889389F97F835E96EDAEB78256561D
SSDEEP192:tDxDHDX/3Nh11U4umSj+HMLkOyPZrRhHDX/3o8rwM9:tDxxU+HZPNQ8L9
TLSHT18312200096F1327B496A98D6E3E01FEB9EE1809BC7421850F57EA6350FCAF94752353D
Key Value
FileName./usr/share/doc/rdkit/html/api/toc-rdkit.Chem.MolSurf-module.html
FileSize3125
MD5999447F9EEAD7125A16288EC998072E8
SHA-1027C16B62758F4797246ACA54158511BE32AF135
SHA-256463175A1DEE30B844002C54A5A134EF44014EE1992188963F7371A88CE1316F0
SSDEEP48:cKbRxDNCTPHYaysOJOjxzfdyR7x/lidY/t35Ky1WA4HQoj:tRxRCGYjxStG3H9
TLSHT15751B100CEE49A93818807DCB6B2F62AB9907196E6458C9CF6CD81870B47D9385D36CB