CML Reference Collection

The largest collection of CML format (Chemical Markup Language) molecular data available.

The CML Reference Collection contains over 120,000 3D structure CML files , cross referenced to over 600,000 identifiers arranged in browsable html format indicies.

The collection requires approx 1.5Gb of disk space to install. The data files are architecture independent and may be used with any operating system. Java based CML viewers are available for free download via the internet (the Jumbo3 CML viewer is highly recommended).

The collection has a range of potential uses, from high-school chemistry class instruction, to research tool for industrial chemists' , and is being released under a flexible licensing scheme to accomodate such a disparate user community.


The CML Reference Collection may be obtained under a variety of licensing arrangements

Other options

Commercial entities with an interest in incorporating the CML Reference Collection into other products, are welcome to contact us to discuss their requirements.