recipe bioconductor-eir

Accelerated similarity searching of small molecules

Homepage:

https://bioconductor.org/packages/3.18/bioc/html/eiR.html

License:

Artistic-2.0

Recipe:

/bioconductor-eir/meta.yaml

The eiR package provides utilities for accelerated structure similarity searching of very large small molecule data sets using an embedding and indexing approach.

package bioconductor-eir

versions:

1.46.0-0,  1.42.0-0,  1.40.0-0,  1.38.0-1,  1.38.0-0,  1.34.0-2,  1.34.0-1,  1.34.0-0,  1.32.0-0, 

1.46.0-0,  1.42.0-0,  1.40.0-0,  1.38.0-1,  1.38.0-0,  1.34.0-2,  1.34.0-1,  1.34.0-0,  1.32.0-0,  1.28.0-0,  1.26.0-0,  1.24.0-1,  1.22.0-0

depends bioconductor-biocgenerics:

>=0.52.0,<0.53.0

depends bioconductor-biocgenerics:

>=0.52.0,<0.53.0a0

depends bioconductor-chemminer:

>=3.58.0,<3.59.0

depends bioconductor-chemminer:

>=3.58.0,<3.59.0a0

depends libblas:

>=3.9.0,<4.0a0

depends libgcc:

>=13

depends liblapack:

>=3.9.0,<4.0a0

depends libstdcxx:

>=13

depends r-base:

>=4.4,<4.5.0a0

depends r-dbi:

depends r-digest:

depends r-rcppannoy:

>=0.0.9

depends r-rcurl:

depends r-runit:

depends r-snow:

depends r-snowfall:

requirements:

additional platforms:

Installation

You need a conda-compatible package manager (currently either micromamba, mamba, or conda) and the Bioconda channel already activated (see set-up-channels).

While any of above package managers is fine, it is currently recommended to use either micromamba or mamba (see here for installation instructions). We will show all commands using mamba below, but the arguments are the same for the two others.

Given that you already have a conda environment in which you want to have this package, install with:

   mamba install bioconductor-eir

and update with::

   mamba update bioconductor-eir

To create a new environment, run:

mamba create --name myenvname bioconductor-eir

with myenvname being a reasonable name for the environment (see e.g. the mamba docs for details and further options).

Alternatively, use the docker container:

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

(see `bioconductor-eir/tags`_ for valid values for ``<tag>``)

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