bioconda / packages / biobb_cp2k 5.0.0

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Biobb_cp2k is a BioBB category for CP2K QM package.

License: Apache Software License
Home: https://github.com/bioexcel/biobb_cp2k
10607 total downloads
Last upload: 1 month and 12 days ago

Installers

noarch v5.0.0

conda install

To install this package run one of the following:
conda install bioconda::biobb_cp2k

Description

biobb_cp2k

Introduction

Biobb_cp2k allows setup and simulation of QM simulations using CP2K QM package. Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools. The latest documentation of this package can be found in our readthedocs site: latest API documentation.

Copyright & Licensing

This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU H2020 823830, EU H2020 675728).

(c) 2015-2024 Barcelona Supercomputing Center
(c) 2015-2024 Institute for Research in Biomedicine Licensed under the Apache License 2.0, see the file LICENSE for details.

bioconda / packages / biobb_cp2k 5.0.0 1