Published in Depth-First
Author Richard L. Apodaca
Benchmarking can be a useful first step in optimizing the performance of software. Recently a group of developers including myself began creating an open suite of benchmarks for cheminformatics. Currently, two open source cheminformatics toolkits are included: MX and CDK. Ring perception is the foundation of many cheminformatics algorithms, so performance is an important issue. How do MX and CDK compare?