CCDC > Integrations with Third-Party Software

Integrations with Third-Party Software

CSD data and software is integrated with various complementary products from our key software partners to provide even more functionality.

In addition to the CSD Python API providing a standardized and flexible route for integrations, we and our partners offer out-of-the-box integrations that leverage CCDC capabilities and content within their offerings.

Partner Integrations

GOLD Protein-Ligand Docking on Orion® from OpenEye, Cadence Molecular Sciences

This collaboration provides computational and medicinal chemists with a powerful new toolset to streamline and enhance their GOLD protein–ligand docking workflows on OpenEye, Cadence Molecular Sciences’ cloud-native Orion platform, a crucial step in pharmaceutical development.

More about the integration

Biovia GOLD Docking

Access the power of trusted GOLD protein-ligand docking in a fully cloud-based environment, with Biovia’s 3DEXPERIENCE® platform.

CSD KNIME Nodes Component Collection

The CSD KNIME Nodes component collection provides integration to the KNIME Analytics Platform to make the CSD data and CCDC scientific tools available within the KNIME scientific and enterprise workflows. Explore the CSD KNIME component collection here.

CSD Linker Database

The CSD Linker Database from CCG can be used within MOE to aid the fragment-based drug design process.

CSD ReCore Index

The ReCore Index, based on the CSD, is a database of fragments from BioSolveIT for rescaffolding.

Malvern Panalytical's HighScore software for powder diffraction

CSD licence holders can use the CSD in Malvern Panalytical’s HighScore software to identify (mixtures of) organic materials, as a sole data source or in combination with other databases. You can also make crystal structure information for identified phases available, allowing further structure refinement or quantitative analysis without manual import of the data.

Spark CSD Fragment Database

Generate novel structures for your project using the Spark CSD Fragment Database for scaffold hopping and R-group exploration.

Solutions

Community

Discover

Consultancy Services

Research

Support and Resources

About

Search our website

Search our Support FAQs

Search the CSD