Redesigned COSMolKit core with value-style molecule state and explicit topology operation contracts
Chemistry and small molecules for the Cyanea bioinformatics ecosystem
High-performance 3D molecular conformer generation using ETKDG distance geometry
CLI tool for high-performance 3D molecular conformer generation
Rust-native cheminformatics and structural biology toolkit for molecules, SMILES, SDF, molecular graphs, conformers, and AI-ready workflows
Ultra-lightweight WebAssembly kernel for cheminformatics: XYZ/PDB/SDF/SMILES/CML parsing, bond detection, ring & stereo analysis, fingerprints, 2D depiction
UCUM (Unified Code for Units of Measure) core library for FHIRPath quantity operations