Docs.rs

PostgreSQL-backed Organization Plugin for Lenso vNext.

3D coordinate generation, DREIDING force field, velocity Verlet MD, PDB/XYZ I/O, conformer RMSD — pure Rust, WASM-compatible

Periodic crystal structure representation and geometry (lattice, fractional/Cartesian coordinates, PBC distance, periodic neighbors, supercells) for chematic -- pure Rust, WASM-compatible

2D molecular structure depiction as SVG: ring templates, wedge/dash stereo bonds, CPK coloring, grid layout — pure-Rust, no C/C++ dependencies

Molecular descriptors: MW, LogP, TPSA, QED, Gasteiger charges, CIP stereo, Murcko scaffold, tautomers, BRICS fragmentation — pure-Rust

DREIDING force field atom typing and parameters for chematic — pure-Rust cheminformatics

Local IUPAC name generation for chematic — pure-Rust, no network required

Special and custom Collections and Containers (for Rust)

ECFP4/6, MACCS 166-bit and topological path fingerprints with Tanimoto/Dice similarity for chematic

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

OpenSMILES parser, writer and canonical SMILES for chematic — pure Rust, WASM-compatible

高性能异步下载器：动态并发、断点续传、多源/代理 lane 调度，基于 Tokio + reqwest

A reimplementation of the Unix `ls` command, for learning Rust.

SMARTS parser, VF2 subgraph isomorphism and MCS for chematic — pure-Rust RDKit alternative

OTP-faithful actors for Tokio: panic-visible supervision, restart strategies, and Erlang-grade lifecycle semantics with zero ceremony