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The Cambridge Crystallographic Data Centre (Open Source)

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  1. csd-python-api-scripts csd-python-api-scripts Public

    Example scripts using the CSD Python API

    Jupyter Notebook 70 21

  2. ansible-role-debloat-windows ansible-role-debloat-windows Public

    17 8

  3. dash dash Public

    A versatile and interactive package for solving crystal structures from powder diffraction data

    Fortran 12 1

  4. science-paper-rf-machine-learned-scoring-2022 science-paper-rf-machine-learned-scoring-2022 Public

    Python 9 1

  5. on-site-webcsd on-site-webcsd Public

    On-Site WebCSD Installer

    3

  6. hotspots hotspots Public

    Forked from prcurran/hotspots

    A knowledge-based method for determining small molecule binding "hotspots".

    Python 2 1

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  • csd-python-api-scripts Public

    Example scripts using the CSD Python API

    ccdc-opensource/csd-python-api-scripts’s past year of commit activity
    Jupyter Notebook 70 MIT 21 1 1 Updated Mar 18, 2025
  • commit-hooks Public

    A set of commit hooks that repositories can use to automate code checks

    ccdc-opensource/commit-hooks’s past year of commit activity
    Python 0 0 0 1 Updated Mar 14, 2025
  • ansible-role-ccdc-package-manager-configuration Public
    ccdc-opensource/ansible-role-ccdc-package-manager-configuration’s past year of commit activity
    0 MIT 0 0 0 Updated Mar 10, 2025
  • packer-ccdc-basebox-ubuntu Public
    ccdc-opensource/packer-ccdc-basebox-ubuntu’s past year of commit activity
    HCL 0 1 0 0 Updated Mar 10, 2025
  • ansible-role-compact-vm-image Public
    ccdc-opensource/ansible-role-compact-vm-image’s past year of commit activity
    0 MIT 0 0 0 Updated Mar 3, 2025
  • ansible-role-vagrant-base-box Public
    ccdc-opensource/ansible-role-vagrant-base-box’s past year of commit activity
    Jinja 0 MIT 0 0 1 Updated Mar 3, 2025
  • hotspots Public Forked from prcurran/hotspots

    A knowledge-based method for determining small molecule binding "hotspots".

    ccdc-opensource/hotspots’s past year of commit activity
    Python 2 MIT 17 0 1 Updated Feb 25, 2025
  • on-site-webcsd Public

    On-Site WebCSD Installer

    ccdc-opensource/on-site-webcsd’s past year of commit activity
    3 0 0 3 Updated Feb 20, 2025
  • ansible-role-ccdc-build-machine-desktop-environment Public

    A role to set up a test-suitable desktop environment

    ccdc-opensource/ansible-role-ccdc-build-machine-desktop-environment’s past year of commit activity
    0 MIT 0 0 0 Updated Feb 18, 2025
  • packer-ccdc-basebox-rhel Public
    ccdc-opensource/packer-ccdc-basebox-rhel’s past year of commit activity
    HCL 0 0 0 1 Updated Feb 13, 2025
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