Computational Chemistry Research

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Explore our structural chemistry software here, to support research in drug discovery, particle behaviour, solid form analysis and functional materials design, all using the world’s largest crystal structure database: the Cambridge Structural Database (CSD).
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Community
Our mission is to advance structural science for the public benefit — here you can explore and access our free data, software, training support and educational resources.
- Community Overview
- Access/Deposit Structures
- CCDC for the Community
- Partnerships and Initiatives
- Education and Outreach
- Events
- Free Products
- Training and Learning
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See how CSD data and software have been applied through case studies, webinars, white papers and more.
Consultancy Services
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Consultancy Services
With over 50 years at the forefront of structural chemistry, you’re in safe hands with CCDC Consultancy.
Research
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Research
As well as providing data and software, we also conduct research and regularly publish on topics around structural chemistry and data science, collaborating with leading researchers, in both academia and industry.
Support and Resources
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Support and Resources
Helping you get the most out of the CSD data and software, use these pages to get support, find licensing information, view documentation and other resources, and download software.
About
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About
Learn more about the CCDC, including how to work with us, donate to our charitable mission or get in touch.

Home
Software
Software
Explore our structural chemistry software here, to support research in drug discovery, particle behaviour, solid form analysis and functional materials design, all using the world’s largest crystal structure database: the Cambridge Structural Database (CSD).
- Overview
- By Field
- By Use Case
- By Suite
- All Software
- Software Integrations
- About the CSD
- How CSD Licences Work
- Latest Updates
Community
Community
Our mission is to advance structural science for the public benefit — here you can explore and access our free data, software, training support and educational resources.
- Community Overview
- Access/Deposit Structures
- CCDC for the Community
- Partnerships and Initiatives
- Education and Outreach
- Events
- Free Products
- Training and Learning
- Newsletter
Discover
Discover
See how CSD data and software have been applied through case studies, webinars, white papers and more.
Consultancy Services
Consultancy Services
With over 50 years at the forefront of structural chemistry, you’re in safe hands with CCDC Consultancy.
Research
Research
As well as providing data and software, we also conduct research and regularly publish on topics around structural chemistry and data science, collaborating with leading researchers, in both academia and industry.
Support and Resources
Support and Resources
Helping you get the most out of the CSD data and software, use these pages to get support, find licensing information, view documentation and other resources, and download software.
- Support and Resources Overview
- Documentation and Resources
- FAQs
- Downloads
- Licensing Information
- Training and Learning
- Contact Support
About
About
Learn more about the CCDC, including how to work with us, donate to our charitable mission or get in touch.
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Search our Support FAQs
Search technical FAQs covering everything from system requirements and installation, to how specific analyses work.
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Search the CSD
Search for molecular crystal structures in the Cambridge Structural Database by keyword, reference, and more.
Go to the CSD