#molecule

A high-performance, pure Rust toolkit for standardizing and preparing biomolecular systems (proteins & nucleic acids). It heals missing atoms, resolves protonation states, adds solvation, and unifies topologies to forge simulation-ready structures.

React component for visualizing protein structures with the Mol* framework.

Python module for drawing and rendering beautiful atoms and molecules using Blender.

A high-performance, pure Rust library for full-atom protein side-chain packing using the DREIDING force field, Goldstein+Split DEE, and tree-decomposition DP—with native protein–ligand and protein–nucleic acid interface support.

Macromolecular viewer for crystallographers (WebGL)

Web-based molecule sketcher

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)