mirror of
https://git.in.rschanz.org/ryan77627/guix.git
synced 2025-01-25 20:19:18 -05:00
gnu: Add r-chemminer.
* gnu/packages/bioconductor.scm (r-chemminer): New variable.
This commit is contained in:
parent
d38775b13f
commit
991554fc92
1 changed files with 39 additions and 0 deletions
|
@ -6854,3 +6854,42 @@ (define-public r-bigpint
|
||||||
coordinate plots, volcano plots, and litre plots. It includes examples for
|
coordinate plots, volcano plots, and litre plots. It includes examples for
|
||||||
visualizing RNA-sequencing datasets and differentially expressed genes.")
|
visualizing RNA-sequencing datasets and differentially expressed genes.")
|
||||||
(license license:gpl3)))
|
(license license:gpl3)))
|
||||||
|
|
||||||
|
(define-public r-chemminer
|
||||||
|
(package
|
||||||
|
(name "r-chemminer")
|
||||||
|
(version "3.38.0")
|
||||||
|
(source
|
||||||
|
(origin
|
||||||
|
(method url-fetch)
|
||||||
|
(uri (bioconductor-uri "ChemmineR" version))
|
||||||
|
(sha256
|
||||||
|
(base32
|
||||||
|
"1j6vmkhc03dmmkm5wgbcv62pw5dclp49f906xkx1pwg27bdldbga"))))
|
||||||
|
(properties `((upstream-name . "ChemmineR")))
|
||||||
|
(build-system r-build-system)
|
||||||
|
(propagated-inputs
|
||||||
|
`(("r-base64enc" ,r-base64enc)
|
||||||
|
("r-bh" ,r-bh)
|
||||||
|
("r-biocgenerics" ,r-biocgenerics)
|
||||||
|
("r-dbi" ,r-dbi)
|
||||||
|
("r-digest" ,r-digest)
|
||||||
|
("r-dt" ,r-dt)
|
||||||
|
("r-ggplot2" ,r-ggplot2)
|
||||||
|
("r-gridextra" ,r-gridextra)
|
||||||
|
("r-png" ,r-png)
|
||||||
|
("r-rcpp" ,r-rcpp)
|
||||||
|
("r-rcurl" ,r-rcurl)
|
||||||
|
("r-rjson" ,r-rjson)
|
||||||
|
("r-rsvg" ,r-rsvg)))
|
||||||
|
(home-page "https://github.com/girke-lab/ChemmineR")
|
||||||
|
(synopsis "Cheminformatics toolkit for R")
|
||||||
|
(description
|
||||||
|
"ChemmineR is a cheminformatics package for analyzing drug-like small
|
||||||
|
molecule data in R. It 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.")
|
||||||
|
(license license:artistic2.0)))
|
||||||
|
|
Loading…
Reference in a new issue