ChemCore: A Cheminformatics Toolkit for Rust
ConclusionChemCore is a new cheminformatics toolkit for Rust. The software was created to fill a need for a compact, fast, easy-to-build, easy-to-deploy, permissively-licensed toolkit that works well in many application scenarios. Integrating several new ideas about molecule and graph APIs, ChemCore's focus is forward-looking. ChemCore can currently read SMILES without aromatic features, and will support input/output with both SMILES and Molfile. Further releases will focus on supporting higher-level cheminformatics functionality with an eye toward advanced desktop and Web applications.
Source: Depth-First - Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
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