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RDKit
Open-source cheminformatics and machine learning.
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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 |
1.8.9.1 
