Cheminformatics in Rust: Implementing a Minimal Molecule API

ConclusionPrevious posts introduced the concept of the minimum Molecule API. This post presents an implementation in Rust. No insurmountable restrictions were found, although Rust's ownership model did present some challenges not likely to found in other languages. A repository with all source and a complete suite of unit tests is available from GitHub.

Source: Depth-First - May 11, 2020 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs