recipe ms-entropy

This package provides a Python implementation of calculating spectral entropy, entropy similarity, and Flash entropy search for mass spectrometry data.

Homepage:

https://github.com/YuanyueLi/MSEntropy

Documentation:

https://msentropy.readthedocs.io/en/latest

License:

APACHE / Apache-2.0

Recipe:

/ms-entropy/meta.yaml

Links:

doi: 10.1038/s41592-023-02012-9, doi: 10.1038/s41592-021-01331-z

package ms-entropy

versions:

1.3.3-0,  1.2.0-1,  1.2.0-0,  1.1.3-0,  1.1.2-0,  1.1.1-0,  1.0.4-0,  1.0.2-0,  1.0.1-0, 

1.3.3-0,  1.2.0-1,  1.2.0-0,  1.1.3-0,  1.1.2-0,  1.1.1-0,  1.0.4-0,  1.0.2-0,  1.0.1-0,  1.0.0-0,  0.9.12-0,  0.9.11-0

depends libgcc:

>=12

depends numpy:

>=1.22.4,<2.0a0

depends numpy:

>=1.26.4,<2.0a0

depends python:

>=3.10,<3.11.0a0

depends python_abi:

3.10.* *_cp310

requirements:

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 ms-entropy

and update with::

   mamba update ms-entropy

To create a new environment, run:

mamba create --name myenvname ms-entropy

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/ms-entropy:<tag>

(see `ms-entropy/tags`_ for valid values for ``<tag>``)

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