recipe np-likeness-scorer

Calculates Natural Product(NP)-likeness of a molecule, i.e. the similarity of the molecule to the structure space covered by known natural products. NP-likeness is a useful criterion to screen compound libraries and to design new lead compounds

Homepage:

https://sourceforge.net/projects/np-likeness/

License:

None

Recipe:

/np-likeness-scorer/meta.yaml

Links:

doi: 10.1186/1471-2105-13-106, usegalaxy-eu: ctb_np-likeness-calculator

package np-likeness-scorer

(downloads) docker_np-likeness-scorer

versions:

2.1-0

depends openjdk:

>=6

depends python:

2.7*

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 np-likeness-scorer

and update with::

   mamba update np-likeness-scorer

To create a new environment, run:

mamba create --name myenvname np-likeness-scorer

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/np-likeness-scorer:<tag>

(see `np-likeness-scorer/tags`_ for valid values for ``<tag>``)

Download stats

Link to this page

Render an install-with-bioconda badge with the following MarkDown:

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