{"categories":[{"label":"Scientific/Engineering","url":"https://skillfed.io/packages/category/scientific-engineering/5"}],"enrichment":{"capability":"py2opsin converts IUPAC chemical names to molecular structure representations (SMILES, InChI, CML, and other formats) by wrapping the OPSIN parser, with OPSIN v2.9.0 bundled in the package.","skillfed_tags":["cheminformatics","chemistry-data","iupac-nomenclature"],"use_cases":["Convert a list of IUPAC names from a research paper into SMILES strings for molecular property analysis or machine learning.","Batch-process chemical datasets where names are the primary identifier, converting them to canonical structures for downstream analysis.","Resolve chemical nomenclature in automated workflows without relying on network calls or rate-limited external APIs.","Explore chemical space by translating historical chemical names or nomenclature variants into modern structure formats.","Support cheminformatics pipelines that require local, deterministic name-to-structure resolution with configurable parsing rules."],"what_it_does":"py2opsin is a lightweight Python wrapper around OPSIN, an open-source chemical nomenclature parser. It translates IUPAC chemical names into standardized molecular representations like SMILES, InChI, and CML. The package bundles OPSIN v2.9.0, so installation requires only Python and a runtime Java 8+ environment; it has minimal Python dependencies (only typing_extensions).\n\nThe primary use case is batch conversion of chemical names to structures, which is dramatically faster than making individual network requests to external services. The package accepts single names or lists of names and supports multiple output formats and parsing options (acid interpretation, radical handling, stereochemistry strictness). It is designed for cheminformatics workflows where you need to resolve chemical nomenclature locally without external API calls.","worth_installing":"Yes. py2opsin is actively maintained, has no known vulnerabilities, low install friction, and a permissive MIT license. It solves a real problem (batch IUPAC-to-structure conversion) faster and more reliably than network-based alternatives. Install it if you work with chemical nomenclature and need local, offline name resolution; the only prerequisite is Java 8+."},"id":"py2opsin","links":{"html":"https://skillfed.io/packages/py2opsin","md":"https://skillfed.io/packages/py2opsin.md","pypi":"https://pypi.org/project/py2opsin/"},"maintenance":{"status":"active"},"meta":{"latest_release":"2026-03-16","license_spdx":null,"license_treatment":"permissive","name":"py2opsin","python_support":"supports_current","summary":"Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature"},"popularity":{"monthly_downloads":221234,"position":9283,"tier":"top_15000"},"security":{"n_vulnerabilities":0},"version":"1.2.0"}