recipe bioconductor-chemminer

ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. Its latest version contains functions for efficient processing of large numbers of molecules, physicochemical/structural property predictions, structural similarity searching, classification and clustering of compound libraries with a wide spectrum of algorithms. In addition, it offers visualization functions for compound clustering results and chemical structures.

Homepage

https://bioconductor.org/packages/3.9/bioc/html/ChemmineR.html

License

Artistic-2.0

Recipe

/bioconductor-chemminer/meta.yaml

Links

biotools: chemminer

package bioconductor-chemminer

(downloads) docker_bioconductor-chemminer

Versions

3.34.1-0, 3.32.1-0, 2.30.0-0, 2.28.3-0

Depends bioconductor-biocgenerics

>=0.28.0,<0.29.0

Depends libgcc-ng

>=7.3.0

Depends libstdcxx-ng

>=7.3.0

Depends r-base

>=3.5.1,<3.5.2.0a0

Depends r-base64enc

Depends r-bh

Depends r-dbi

Depends r-digest

Depends r-dt

Depends r-ggplot2

Depends r-gridextra

Depends r-png

Depends r-rcpp

>=0.11.0

Depends r-rcurl

Depends r-rjson

Depends r-rsvg

Requirements

Installation

With an activated Bioconda channel (see 2. Set up channels), install with:

conda install bioconductor-chemminer

and update with:

conda update bioconductor-chemminer

or use the docker container:

docker pull quay.io/biocontainers/bioconductor-chemminer:<tag>

(see bioconductor-chemminer/tags for valid values for <tag>)