· 5 days ago· Dev.to
The Future of Cheminformatics in Rust: Current Status and Challenges Ahead
RDKit has been the dominant cheminformatics library since its open-source release in 2006. It is written in C++, wrapped in Python, and has accumulated nearly two decades of validated chemistry: SMILES and SMARTS parsing, multiple fingerprint types, 2D coordinate generation, 3D conformer generation,
#cheminformatics#rust#cloud-computing#open-source#rdkit