recipe neatms

NeatMS is an open source python package for untargeted LCMS deep learning peak curation

Homepage:

https://github.com/bihealth/NeatMS

Documentation:

https://neatms.readthedocs.io/

License:

MIT / MIT License

Recipe:

/neatms/meta.yaml

package neatms

versions:

0.7-0,  0.6-0,  0.1-0

depends h5py:

depends keras:

depends numpy:

depends pandas:

depends pillow:

depends pymzml:

depends python:

>=3.6

depends scikit-learn:

depends tensorflow:

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 neatms

and update with::

   mamba update neatms

To create a new environment, run:

mamba create --name myenvname neatms

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/neatms:<tag>

(see `neatms/tags`_ for valid values for ``<tag>``)

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