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See:
Description
Interface Summary | |
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IVertexEdgeKernel | Interface for vertex and edge subkernels. |
Class Summary | |
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Array2Float | Two-dimensional array of single precision floating point numbers. |
Factorial | Precomputed factorial function. |
HungarianAlgorithm | The Hungarian algorithm (Kuhn-Munkres assignment algorithm). |
Isoak1Example | Sample program demonstrating the usage of the IsoaKernel1 class. |
IsoaKernel1 | The iterative similarity optimal assignment kernel. |
MolecularGraph | Query-only data structure for molecular graphs. |
Permutations | Permutation related functions. |
Enum Summary | |
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Element | Periodic table of the elements. |
HungarianAlgorithm.OptimizationType | Optimization type (either minimization or maximization of the assignment value). |
MolecularGraph.FileFormat | The supported chemical file formats (currently only SDF). |
VertexEdgeKernel | Available vertex and edge subkernels. |
Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:
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