mmbirb/acpype repository overview

⁠ACPYPE container

⁠Introduction

ACPYPE docker and singularity containers used for biobb_chemistry⁠ BioExcel Building Blocks modules.

⁠Docker Use

• Installation:

    docker pull mmbirb/acpype:latest
  

  Copy

• Usage:

    docker run mmbirb/acpype:latest <command>
  

  Copy

⁠Singularity Use

• Installation:

    singularity pull --name acpype.sif shub://bioexcel/acpype_container
  

  Copy

• Usage:

    singularity exec acpype.sif <command>
  

  Copy

⁠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) 2015-2020 Barcelona Supercomputing Center⁠
• (c) 2015-2020 Institute for Research in Biomedicine⁠

Licensed under the Apache License 2.0⁠, see the file LICENSE for details.

⁠Acknolegements

The singularity container has been built through singularity hub⁠.