{"categories":[{"label":"Scientific/Engineering","url":"https://skillfed.io/packages/category/scientific-engineering/7"}],"enrichment":{"capability":"Provides precompiled wheels for Linux, macOS, and Windows, enabling easy installation of chemoinformatics and machine-learning software without requiring local compilation.","skillfed_tags":["chemistry","chemoinformatics","precompiled-wheels"],"use_cases":["Parse and manipulate molecular structures from SMILES strings or other chemical formats in Python scripts.","Calculate molecular properties and fingerprints for machine-learning pipelines in drug discovery or materials science.","Generate 2D depictions or visualizations of chemical structures for reports or web applications.","Perform substructure matching or similarity searches across chemical databases.","Build chemoinformatics data pipelines that require reliable, precompiled dependencies across multiple platforms."],"what_it_does":"rdkit-pypi is a wheel distribution of C++ and Python chemoinformatics and machine-learning software. Rather than requiring you to compile from source, this package provides prebuilt platform-specific binaries (wheels) for common operating systems and architectures, making installation a simple pip command. It depends on numpy and Pillow for numerical and image operations.\n\nThe package is primarily a distribution convenience layer\u2014the actual functionality comes from the underlying software. It's designed for researchers and developers working with molecular data who need reliable, fast installation without wrestling with compilation toolchains.","worth_installing":"Yes, if you need this chemoinformatics software and want to avoid compilation. The package offers broad platform and Python version coverage (3.7\u20133.11 on Linux, macOS, Windows) with medium install friction and no known vulnerabilities. However, the package itself has not released since 2023-02-26; verify current distribution recommendations before adopting."},"id":"rdkit-pypi","links":{"html":"https://skillfed.io/packages/rdkit-pypi","md":"https://skillfed.io/packages/rdkit-pypi.md","pypi":"https://pypi.org/project/rdkit-pypi/"},"maintenance":{"status":"active"},"meta":{"latest_release":"2023-02-26","license_spdx":null,"license_treatment":"permissive","name":"rdkit-pypi","python_support":"unspecified","summary":"A collection of chemoinformatics and machine-learning software written in C++ and Python"},"popularity":{"monthly_downloads":138636,"position":11324,"tier":"top_15000"},"security":{"n_vulnerabilities":0},"version":"2022.9.5"}