https://github.com/bioexcel/acpype_container

https://github.com/bioexcel/acpype_container

Science Score: 13.0%

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    Low similarity (5.9%) to scientific vocabulary
Last synced: 10 months ago · JSON representation

Repository

Basic Info
  • Host: GitHub
  • Owner: bioexcel
  • License: apache-2.0
  • Language: Dockerfile
  • Default Branch: master
  • Size: 15.6 KB
Statistics
  • Stars: 0
  • Watchers: 6
  • Forks: 0
  • Open Issues: 0
  • Releases: 0
Created over 6 years ago · Last pushed over 1 year ago
Metadata Files
Readme License

README.md

ACPYPE container

Introduction

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

Docker Use

  • Installation:

    docker pull mmbirb/acpype:latest
    
  • Usage:

    docker run mmbirb/acpype:latest <command>
    

Singularity Use

  • Installation:

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

    singularity exec acpype.sif <command>
    

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 Horizon Europe 101093290, EU H2020 823830, EU H2020 675728).

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

Acknolegements

The singularity container has been built through singularity hub.

Owner

  • Name: BioExcel
  • Login: bioexcel
  • Kind: organization

Center of Excellence for Computational Biomolecular Research

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