Published March 31, 2026 | Version v1
Computational notebook Open

Dynamic Entropy Search main code

Authors/Creators

Description

Spectral entropy is a useful property to measure the complexity of a spectrum. It is inspired by the concept of Shannon entropy in information theory. 

Entropy similarity, which measured spectral similarity based on spectral entropy, has been shown to outperform dot product similarity in compound identification. 

The calculation of entropy similarity can be accelerated by using the Flash Entropy Search algorithm. 

Dynamic Entropy Search is built and optimized based on Flash Entropy Search. Besides the excellent search performance, it allows unlimited library spectra with high speed and low memory.

Files

DynamicEntropySearch-main.zip

Files (23.7 MB)

Name Size Download all
md5:22b20b98b32dce44fb0fff50159818ab
23.7 MB Preview Download