This repository has been archived and is no longer maintained.The code is provided for historical reference and may contain unpatched or unknown vulnerabilities. It should not be used in production systems.

LyChI (Layered Chemical Identifier)

This directory contains code for BARD/GSRS structure standardizer and hash-code generator.

To build simply type:

bash make.sh

You will need to have maven installed. Inside the make.sh script it simply adds the dependencies and calls mvn clean package.

This will build 2 jar files (one with dependencies and one without). They can be located in the target directory, and will look like:

target/lychi-0.5.1.jar  
target/lychi-0.5.1-jar-with-dependencies.jar

The self-contained jar file can be invoked directly. For example:

java -jar target/lychi-0.5.1-jar-with-dependencies.jar tests/standardizer_case1.smi