Hot news from MadFast Similarity Search - Similarity based overlap analysis got released in the brand new 0.3.0 version
Similarity based overlap analysis (full matrix calculation) of large libraries, up to millions of compounds is possible with the fast multi query similarity search implementation.
1M by 1M exhaustive similarity search using 1024 bit binary fingerprint takes
- ~30 minutes on c3.8xlarge AWS instance
- ~8 minutes on x1.32xlarge AWS instance
Interactive visualization of the overlap is released in version 0.3.0. See History of changes for the description of all changes.