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
Sep 5, 2026 - Rust
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etkdg
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Generate 3D conformers from SMILES/InChI/FASTA/HELM using RDKit ETKDGv3, directly in ChimeraX. No network dependency, high-quality local 3D structure generation.
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Updated
Feb 24, 2026 - Python
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