Results for rdkit_chem

A cheminformatics toolkit written in Rust.

Smaller & Faster Single-File Vector Search Engine from Unum

Pure-Rust IUPAC chemical name resolver → SMILES / molecular graph. WASM-compatible.

Molecular descriptors (MW, LogP, TPSA, CIP), standardization and Murcko scaffold for chematic

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

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

Reaction SMILES/SMIRKS parser and writer for chematic — pure-Rust RDKit alternative