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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. aiida-amber aiida-amber Public

    An Amber plugin for AiiDA

    Python 1

  3. 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

  4. 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

  5. aiida-mlip aiida-mlip Public

    Forked from stfc/aiida-mlip

    machine learning interatomic potentials aiida plugin

    Python

  6. janus-core janus-core Public

    Forked from stfc/janus-core

    Python

Repositories

Showing 10 of 17 repositories
  • metadata Public

    The PSDI metadata is 'data about data' that describes the PSDI platform and its resources, data, services and guidance to facilitate its access and document its provenance.

    PSDI-UK/metadata’s past year of commit activity
    HTML 0 CC0-1.0 0 0 0 Updated Mar 19, 2025
  • ccpnc-database Public Forked from CCP-NC/ccpnc-database

    PSDI-UK fork copy of CCP-NC magres database repository

    PSDI-UK/ccpnc-database’s past year of commit activity
    Python 0 3 0 0 Updated Mar 17, 2025
  • psdi-common-style Public

    Common UI and style elements for PSDI projects with a public interface

    PSDI-UK/psdi-common-style’s past year of commit activity
    CSS 0 MIT 1 0 0 Updated Mar 12, 2025
  • dlmonte-container Public
    PSDI-UK/dlmonte-container’s past year of commit activity
    Dockerfile 0 BSD-3-Clause 0 0 0 Updated Mar 11, 2025
  • aiida-gromacs Public

    A GROMACS plugin for AiiDA

    PSDI-UK/aiida-gromacs’s past year of commit activity
    Python 7 MIT 3 7 0 Updated Feb 13, 2025
  • aiida-amber Public

    An Amber plugin for AiiDA

    PSDI-UK/aiida-amber’s past year of commit activity
    Python 0 MIT 1 4 0 Updated Feb 11, 2025
  • 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.

    PSDI-UK/aiida-testbase’s past year of commit activity
    Dockerfile 0 MIT 1 0 0 Updated Feb 10, 2025
  • aiida-mlip Public Forked from stfc/aiida-mlip

    machine learning interatomic potentials aiida plugin

    PSDI-UK/aiida-mlip’s past year of commit activity
    Python 0 BSD-3-Clause 5 0 0 Updated Jan 23, 2025
  • janus-core Public Forked from stfc/janus-core
    PSDI-UK/janus-core’s past year of commit activity
    Python 0 BSD-3-Clause 9 0 0 Updated Jan 23, 2025
  • Moodle_install_test Public
    PSDI-UK/Moodle_install_test’s past year of commit activity
    Shell 0 0 0 0 Updated Jan 14, 2025
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