Tools

One tool I created recently, enables one to look at microarray-like data and highlight genes which are hypothesised to have a significant difference from the norm.  You can use this on CRISPR data for example.

The main highlight of this its ability to be containerised as a docker image, and thus being easy to install and otherwise deployable on any machine as a web interface.  Thus, it should simply be a case of giving it the data you want (format permitting), running the app and seeing the output in a web browser.

See the GIT link below for more information.  

If you are looking for quick exact MCS calculations on molecules, then look no further!

The CheMCS (or Chemical Maximum Common Subgraph) tools were developed from my PhD project with Professor Peter Willett and Dr John Holliday at the University of Sheffield.  Of main note with the tools presented on this site, is the ability to quickly calculate the MCS on several molecules quickly, whilst yielding more geometrically sensible MCSs which show a more intuitive similarity.

CheMCS Suite

If you are looking for quick exact MCS calculations on molecules, then look no further!

The CheMCS (or Chemical Maximum Common Subgraph) tools were developed from my PhD project with Professor Peter Willett and Dr John Holliday at the University of Sheffield.  Of main note is the ability to quickly calculate the MCS on several molecules quickly, whilst yielding more geometrically sensible MCSs which show a more intuitive similarity.