Reaction SMILES/SMIRKS parser and writer for chematic — pure-Rust RDKit alternative
Pure-Rust cheminformatics library — RDKit alternative with zero C/C++ FFI (umbrella crate)
3D coordinate generation, force-field minimization, PDB/XYZ I/O for chematic — pure Rust
Molecular descriptors (MW, LogP, TPSA, CIP), standardization and Murcko scaffold for chematic
Core types (Atom, Bond, Molecule) for chematic — pure-Rust RDKit alternative, WASM-compatible
2D SVG molecular depiction for chematic — pure-Rust RDKit alternative
ECFP4/6, MACCS 166-bit and topological path fingerprints with Tanimoto/Dice similarity for chematic
MOL/SDF V2000 and V3000 parser and writer for chematic — pure-Rust RDKit alternative
SSSR ring perception and Hückel aromaticity for chematic — pure-Rust RDKit alternative
SMARTS parser, VF2 subgraph isomorphism and MCS for chematic — pure-Rust RDKit alternative
OpenSMILES parser, writer and canonical SMILES for chematic — pure Rust, WASM-compatible