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Rchemcpp 1.1.1

by klambaue - March 21, 2013, 13:28:09 CET [ ] 825 views, 185 downloads, 1 subscription

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About: The Rchemcpp package implements the marginalized graph kernel and extensions, Tanimoto kernels, graph kernels, pharmacophore and 3D kernels suggested for measuring the similarity of molecules.

Changes:

Improved documentation and data handling.

Authors: Michael Mahr, Guenter Klambauer
License: Lgpl
Programming Language: C++, R

Operating System: Linux, Windows, Macos
Data Formats: Mol, Sd, Sdf
Tags: Support Vector Machine, Graph, Kernels, Kernel Methods, Graph Kernels, Molecules, Graph Kernel, Graph Similarity, Algorithm

Graph kernel based on iterative graph similarity and optimal assignments 2008-01-15

by mrupp - September 22, 2008, 13:42:28 CET [ ] 6364 views, 1053 downloads, 2 subscriptions

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About: Java package implementing a kernel for (molecular) graphs based on iterative graph similarity and optimal assignments.

Changes:

Initial Announcement on mloss.org.

Authors: Matthias Rupp, Ewgenij Proschak, Gisbert Schneider
License: New Bsd
Programming Language: Java

Operating System: Agnostic
Data Formats: None
Tags: Kernel Methods, Nips2008, Graph Kernel, Graph Similarity, Optimal Assignment, Structured Data

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Rchemcpp 1.1.1

Graph kernel based on iterative graph similarity and optimal assignments 2008-01-15