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amber build gromacs build

aiida-testenv containers

This repository contains the build instructions and CI pipelines to build the CCPBioSim AiiDA plugins for AMBER and GROMACS for the aiida-amber and aiida-gromacs software plugins to AiiDA.

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This repository contains the a base image for building a test environment with python, conda, and mamba installed for use with testing aiida plugins.

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data-tools data-infrastructure

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