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.
rust cli bioinformatics chemistry cheminformatics biology structural-biology high-performance physics protein-structure molecule molecular-dynamics protein biochemistry nerf sidechain nucleic-acids dreiding tree-decomposition rotamer-library
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Updated
Apr 5, 2026 - Rust