Cambridge Structural Database (CSD) is the world’s repository for small-molecule organic and metal-organic crystal structures and has become an essential resource to scientists around the world. It is continually updated with new structures (>50,000 new structures each year) and with improvements to existing entries.
CSD contains over 800,000 entries from x-ray and neutron diffraction analyses that allows you to create a unique database of accurate 3D structures. Each database entry is enriched with bibliographic, chemical, and physical property information. Learn more.
How to obtain
Licensing
CSD is licensed by the MIT Libraries for use by all MIT faculty, staff, and students for use during in-class instruction or for academic research. IS&T works with the MIT Libraries to make the software available for download.
Questions about obtaining CSD: Contact the MIT Libraries Resources
Download CSD 2022 (MIT certificate required)
- Windows 64-bit
- Mac
- Linux 64-bit (32-bit not available)
Other options
- Athena access
- Lincoln Lab available software (Lincoln Lab certificate required)
Installation
Important: Do not install directly over a previous installation - use a new folder instead. IS&T recommends uninstalling previous versions of ConQuest, Mercury, Mogul, and CSD data files and removing all CSD data update files before you install the current version.
- Release and installation notes
- You will need the CSD MIT-specific site number and confirmation code to activate Windows, Mac, and Linux.
Using
- User documentation
- Questions on using CSD: Chemistry Librarian, Ye Li, phone x3-9795
To request a complete set of links, go to CCDC/CSDS Download site to download the latest version of the software with your mit.edu email and the MIT activation code.
The additional links they send will be the complete offerings under the MIT Libraries license for the 2022 release. These links will be specific to your request and expire in 24 hours. Here's the complete list.
- CSDS 2022.3 Release & Installation Notes
- CSDS 2022.3 Windows
- CSDS 2022.3 Linux
-
CSDS 2022.3 MacOS
- CSD Portfolio Download sha256 Validation Checksums
- CSD Python API utilities
-
CSD Python API example scripts
-
IsoStar Server (linux only)
- Pipeline Pilot Component Collection Installation Instructions
-
Pipeline Pilot Component Collection
- Python 3.7 CSD Python API KNIME module 3..0.14 Windows 64-bit conda installer
- Python 3.7 CSD Python API KNIME module 3.0.14 Linux 64-bit conda installer
- Python 3.7 CSD Python API KNIME module 3.0.14 MacOS 64-bit conda installer
- Python 3.7 CSD Python API 3.0.14 Windows 64-bit conda installer
- Python 3.7 CSD Python API 3.0.14 Windows 64-bit pip installer
- Python 3.7 CSD Python API 3.0.14 Linux 64-bit conda installer
- Python 3.7 CSD Python API 3.0.14 Linux 64-bit pip installer
- Python 3.7 CSD Python API 3.0.14 MacOS 64-bit conda installer
- Python 3.7 CSD Python API 3.0.14 MacOS 64-bit pip installer
- Python 3.9 CSD Python API 3.0.14 Windows 64-bit conda installer
- Python 3.9 CSD Python API 3.0.14 Windows 64-bit pip installer
- Python 3.9 CSD Python API 3.0.14 Linux 64-bit conda installer
- Python 3.9 CSD Python API 3.0.14 Linux 64-bit pip installer
- Python 3.9 CSD Python API 3.0.14 MacOS 64-bit conda installer
- Python 3.9 CSD Python API 3.0.14 MacOS 64-bit pip installer
- Python 3.9 CSD Python API KNIME module 3..0.14 Windows 64-bit conda installer
- Python 3.9 CSD Python API KNIME module 3.0.14 Linux 64-bit conda installer
- Python 3.9 CSD Python API KNIME module 3.0.14 MacOS 64-bit conda installer
- Python API 3.0.14 Documentation
- Python API 3.0.14 Tests