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@PSDI-UK

Physical Sciences Data Infrastructure (PSDI)

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  1. aiida-gromacs aiida-gromacs Public

    A GROMACS plugin for AiiDA

    Python 7 3

  2. aai_oidc_example aai_oidc_example Public

    Python 1

  3. aiida-amber aiida-amber Public

    An Amber plugin for AiiDA

    Python 1

  4. aiida-with-gromacs aiida-with-gromacs Public

    This repository contains docker build images for a multiarch container that is designed to simplify the process of using AiiDA and GROMACS

    Dockerfile

  5. aiida-testbase aiida-testbase Public

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

    Dockerfile 1

  6. aiida-mlip aiida-mlip Public

    Forked from stfc/aiida-mlip

    machine learning interatomic potentials aiida plugin

    Python

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