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[ Source: r-cran-rcdk  ]

Package: r-cran-rcdk (3.6.0+dfsg-1)

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GNU R interface to the 'CDK' libraries

Allows the user to access functionality in the 'CDK', a Java framework for chemoinformatics. This allows the user to load molecules, evaluate fingerprints, calculate molecular descriptors and so on. In addition, the 'CDK' API allows the user to view structures in 2D.

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Architecture Package Size Installed Size Files
all 371.3 kB552.0 kB [list of files]