recipe ms2rescore

MS²Rescore: Sensitive PSM rescoring with predicted MS² peak intensities and retention times.

Homepage:

https://compomics.github.io/projects/ms2rescore/

Documentation:

https://ms2rescore.readthedocs.io/en/stable/

Developer docs:

https://github.com/compomics/ms2rescore

License:

APACHE / Apache-2.0

Recipe:

/ms2rescore/meta.yaml

package ms2rescore

(downloads) docker_ms2rescore

versions:

3.0.3-03.0.2-03.0.1-23.0.1-13.0.1-03.0.0-03.0.0b1-13.0.0b1-0

depends cascade-config:

>=0.4.0

depends click:

>=7

depends customtkinter:

>=5,<6

depends deeplc:

>=2.2

depends deeplcretrainer:

>=0.2

depends jinja2:

>=3

depends lxml:

>=4.5

depends matplotlib-base:

depends mokapot:

>=0.9

depends ms2pip:

>=4.0.0-dev8

depends ms2rescore-rs:

depends numpy:

>=1.16.0

depends pandas:

>=1.0

depends plotly:

>=5

depends psm-utils:

>=0.4

depends pydantic:

>=1.8.2,<2

depends pyopenms:

depends pyteomics:

>=4.1.0,<=4.6.3

depends python:

>=3.8

depends rich:

>=12

depends seaborn:

depends sqlalchemy:

<2,>=1.3

depends statsmodels:

depends tomli:

>=2

depends xgboost:

<2,>=1.3

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 ms2rescore

and update with::

   mamba update ms2rescore

To create a new environment, run:

mamba create --name myenvname ms2rescore

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/ms2rescore:<tag>

(see `ms2rescore/tags`_ for valid values for ``<tag>``)

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