Pure-Rust cheminformatics toolkit and RDKit-compatible alternative for SMILES/SMARTS, SDF, fingerprints, substructure search, ETKDG, UFF/MMFF, and Python workflows.
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Updated
Aug 2, 2026 - Rust
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mmff94
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Pure TypeScript MMFF94 — energy, gradients, geometry optimization
typescript computational-chemistry force-field molecular-mechanics broswer merck molecular-modeling energy-minimization chemisty mmff94
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Updated
Aug 2, 2026 - TypeScript
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