recipe im-pipelines

Components for cheminformatics and computational chemistry from InformaticsMatters.



Apache / Apache-2.0



package im-pipelines

(downloads) docker_im-pipelines



depends im-pipelines-utils:

depends im-pipelines-utils-rdkit:

depends matplotlib-base:

depends molvs:

depends python:

depends scikit-learn:

depends standardiser:



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 im-pipelines

and update with::

   mamba update im-pipelines

To create a new environment, run:

mamba create --name myenvname im-pipelines

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<tag>

(see `im-pipelines/tags`_ for valid values for ``<tag>``)

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