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RDKit
Open-source cheminformatics and machine learning.
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NBFGSOpt | |
▼Nboost | |
Nlogging | |
▼Nboost_adaptbx | |
Npython | |
NChemicalFeatures | |
Ndetail | |
NDistGeom | |
▼NForceFields | |
▼NMMFF | |
NUtils | |
▼NUFF | |
NParams | |
NUtils | |
NInvar | |
NMolTransforms | |
NQueries | |
NRankers | Utility functionality used to rank sequences |
NRDCatalog | |
NRDDataManip | |
NRDDepict | |
NRDFeatures | |
NRDGeom | |
NRDInfoTheory | Class used to rank bits based on a specified measure of infomation |
▼NRDKit | Includes a bunch of functionality for handling Atom and Bond queries |
NAtomPairs | |
NCanon | |
Ncommon_properties | |
▼NDescriptors | |
Ndetail | |
NDGeomHelpers | |
▼NDrawing | |
Ndetail | |
NFileParserUtils | |
▼NFingerprints | |
Ndetail | |
NFMCS | |
NLocal | |
NMACCSFingerprints | |
▼NMMFF | |
NTools | |
NMolAlign | |
NMolDraw2D_detail | |
NMolFragmenter | |
NMolHash | |
NMolOps | Groups a variety of molecular query and transformation operations |
NMolShapes | |
NMorganFingerprints | |
NSLNParse | |
NSmartsWrite | |
NSmilesWrite | |
NSubgraphs | |
▼NUFF | |
NTools | |
NUtils | |
NRDLog | |
▼NRDNumeric | |
NAlignments | |
NEigenSolvers | |
NRDPickers | |
NRingUtils | |
NSmilesParseOps |