Projects supporting the mol data format.

Logo Rchemcpp 1.99.0

by klambaue - September 10, 2013, 09:10:13 CET [ Project Homepage BibTeX Download ] 4513 views, 1165 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.


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