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Rchemcpp 1.1.1

by klambaue - March 21, 2013, 13:28:09 CET [ ] 839 views, 188 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

ChemCpp 1.0.2

by pmahe - November 28, 2007, 21:47:44 CET [ ] 3910 views, 1543 downloads, 0 subscriptions

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About: ChemCpp is a C++ toolbox for chemoinformatics focusing on the computation of kernel functions between chemical compounds.

Changes:

Initial Announcement on mloss.org.

Authors: Pierre Mahe, Jean Luc Perret, Jean Philippe Vert
License: Lgpl
Programming Language: C++

Operating System: Linux
Data Formats: None
Tags: Kernel Methods, Chemoinformatics, Graph Kernels, Molecules

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Rchemcpp 1.1.1

ChemCpp 1.0.2