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Rchemcpp 1.99.0

by klambaue - September 10, 2013, 09:10:13 CET [ ] 19221 views, 4267 downloads, 0 subscriptions

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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:

Moved from CRAN to Bioconductor. Improved handling of molecules, visualization and examples.

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 [ ] 17200 views, 3604 downloads, 0 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 1.99.0

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