All

146 repositories

commit-hooks
Public
A set of commit hooks that repositories can use to automate code checks
Python
•
MIT License
•0•0•0•1•Updated May 1, 2026May 1, 2026
on-site-webcsd
Public
On-Site WebCSD Installer
Other
•0•3•0•3•Updated Apr 23, 2026Apr 23, 2026
ansible-role-ccdc-expand-proget-archives
Public
MIT License
•0•0•0•0•Updated Apr 23, 2026Apr 23, 2026
science-paper-rf-machine-learned-scoring-2022
Public
Python
•
MIT License
•1•11•0•0•Updated Apr 14, 2026Apr 14, 2026
science-paper-quercetin-DMF-surface-analysis-2024
Public
Python
•0•1•0•0•Updated Apr 14, 2026Apr 14, 2026
science-paper-protein-ligand-complexes-dataset-2025
Public
Creative Commons Attribution 4.0 International
•0•0•0•1•Updated Apr 14, 2026Apr 14, 2026
science-paper-protac-conformer-generator-2025
Public
Data-driven generation of conformational ensembles and ternary complexes for PROTAC and other Chimera systems
Python
•
Other
•1•4•0•0•Updated Apr 14, 2026Apr 14, 2026
science-paper-mofs-2020
Public
Targeted classification of metal–organic frameworks in the Cambridge Structural Database
science research ccdc-open-source
science research ccdc-open-source scienctificpaper
Python
•0•1•0•0•Updated Apr 14, 2026Apr 14, 2026
science-paper-mechanical-properties-2018
Public
Supporting code for https://doi.org/10.1039/C8CE00454D
Python
•0•0•0•0•Updated Apr 14, 2026Apr 14, 2026
science-paper-crystallographic-flexibility-2025
Public
Python
•
Other
•0•1•0•0•Updated Apr 14, 2026Apr 14, 2026
pipeline-pilot
Public
CCDC's CSD Pipeline Pilot Component Collection
Python
•
Other
•0•1•0•0•Updated Apr 14, 2026Apr 14, 2026
packer-ccdc-basebox-windows
Public
packer basebox build-systems
packer basebox build-systems
HCL
•0•1•0•1•Updated Apr 14, 2026Apr 14, 2026
packer-ccdc-basebox-ubuntu
Public
packer basebox build-systems
packer basebox build-systems
HCL
•1•0•0•0•Updated Apr 14, 2026Apr 14, 2026
packer-ccdc-basebox-rhel
Public
packer basebox build-systems
packer basebox build-systems
HCL
•0•0•0•0•Updated Apr 14, 2026Apr 14, 2026
packer-ccdc-basebox-macos
Public
packer basebox build-systems
packer basebox build-systems
HCL
•0•1•0•0•Updated Apr 14, 2026Apr 14, 2026
homebrew-packages
Public
Custom homebrew packages
Ruby
•
MIT License
•0•0•0•0•Updated Apr 14, 2026Apr 14, 2026
devtestlabs-ccdc-artifacts
Public
Azure DevTestLabs Artifact to configure WinRM
PowerShell
•0•0•0•0•Updated Apr 14, 2026Apr 14, 2026
dash
Public
A versatile and interactive package for solving crystal structures from powder diffraction data
research crystallography powder-diffraction
research crystallography powder-diffraction
Fortran
•
Other
•1•13•0•0•Updated Apr 14, 2026Apr 14, 2026
csd-python-api-tutorials
Public
Python scripts for the CSD Python API components of virtual workshops, self-guided workshops, videos and educational tutorials.
Python
•
MIT License
•0•0•0•0•Updated Apr 14, 2026Apr 14, 2026
csd-python-api-scripts
Public
Example scripts using the CSD Python API
Jupyter Notebook
•
MIT License
•23•91•0•0•Updated Apr 14, 2026Apr 14, 2026
csd-md
Public
Python
•0•1•0•1•Updated Apr 14, 2026Apr 14, 2026
collaboration-bestcsp-experimental-data
Public
Sharing of experimental data for validating computational methods as part of the BEST-CSP project, see https://www.cost.eu/actions/CA22107
Python
•
Creative Commons Attribution Share Alike 4.0 International
•5•0•0•7•Updated Apr 14, 2026Apr 14, 2026
ccsl
Public
Cambridge Crystallography Subroutine Library
Scheme
•
Other
•0•0•0•0•Updated Apr 14, 2026Apr 14, 2026
ccdc-custom-build-qwt
Public
ccdc-3rd-party
ccdc-3rd-party
Python
•0•0•0•1•Updated Apr 14, 2026Apr 14, 2026
ccdc-custom-build-conda-offline-repository
Public
ccdc-3rd-party
ccdc-3rd-party
Python
•1•0•0•0•Updated Apr 14, 2026Apr 14, 2026
ccdc-custom-build-conda-build-environment
Public
ccdc-3rd-party
ccdc-3rd-party
Python
•0•0•0•0•Updated Apr 14, 2026Apr 14, 2026
ansible-role-vagrant-base-box
Public
Jinja
•
MIT License
•0•0•0•0•Updated Apr 14, 2026Apr 14, 2026
ansible-role-template
Public
A template repository for Ansible roles.
0•0•0•2•Updated Apr 14, 2026Apr 14, 2026
ansible-role-install-vm-tools
Public
MIT License
•0•0•0•0•Updated Apr 14, 2026Apr 14, 2026
ansible-role-debloat-windows
Public
MIT License
•8•24•1•3•Updated Apr 14, 2026Apr 14, 2026

ProTip! When viewing an organization's repositories, you can use the props. filter to filter by custom property.

Provide feedback

Saved searches

Use saved searches to filter your results more quickly

The Cambridge Crystallographic Data Centre (Open Source)

All

All

146 repositories

commit-hooks

on-site-webcsd

ansible-role-ccdc-expand-proget-archives

science-paper-rf-machine-learned-scoring-2022

science-paper-quercetin-DMF-surface-analysis-2024

science-paper-protein-ligand-complexes-dataset-2025

science-paper-protac-conformer-generator-2025

science-paper-mofs-2020

science-paper-mechanical-properties-2018

science-paper-crystallographic-flexibility-2025

pipeline-pilot

packer-ccdc-basebox-windows

packer-ccdc-basebox-ubuntu

packer-ccdc-basebox-rhel

packer-ccdc-basebox-macos

homebrew-packages

devtestlabs-ccdc-artifacts

dash

csd-python-api-tutorials

csd-python-api-scripts

csd-md

collaboration-bestcsp-experimental-data

ccsl

ccdc-custom-build-qwt

ccdc-custom-build-conda-offline-repository

ccdc-custom-build-conda-build-environment

ansible-role-vagrant-base-box

ansible-role-template

ansible-role-install-vm-tools

ansible-role-debloat-windows

All

All

Repositories list

146 repositories