{"categories":[{"label":"Scientific/Engineering","url":"https://skillfed.io/packages/category/scientific-engineering/7"}],"enrichment":{"capability":"Calculates molecular descriptors from chemical structures, computing topological, geometric, and physicochemical properties for use in cheminformatics workflows.","skillfed_tags":["cheminformatics","molecular-descriptors","rdkit-wrapper"],"use_cases":["Extract molecular features for machine learning models predicting drug properties or toxicity.","Batch-compute descriptor tables from chemical libraries for structure-activity relationship analysis.","Generate 2D or 3D topological descriptors for molecular similarity and clustering workflows.","Command-line processing of SMILES or SDF files to produce CSV descriptor tables for downstream analysis.","Integrate descriptor calculation into Python cheminformatics pipelines alongside rdkit workflows."],"what_it_does":"Mordredcommunity is a community-maintained fork of an original molecular descriptor calculator that is no longer actively developed. It computes a large set of molecular descriptors\u2014topological, geometric, and physicochemical properties\u2014from chemical structures provided as SMILES strings, SDF, or MOL files. The package wraps rdkit for structure parsing and calculation, and exposes descriptors through both a command-line interface and a Python API.\n\nTypical use is to load molecules, instantiate a Calculator with a descriptor set, and compute properties either for single molecules or batches. It supports 2D and 3D descriptor modes, selective descriptor calculation, and optional pandas DataFrame output. The CLI supports streaming reads for low-memory processing and progress bars; the library API allows direct integration into cheminformatics pipelines.","worth_installing":"Yes. The package is actively maintained, has low install friction, carries no known vulnerabilities, and solves a specific cheminformatics need (descriptor calculation) that the original unmaintained version no longer addresses. Install it if you need molecular descriptors for machine learning, structure analysis, or chemical property prediction; the API is stable and the community fork is actively accepting contributions."},"id":"mordredcommunity","links":{"html":"https://skillfed.io/packages/mordredcommunity","md":"https://skillfed.io/packages/mordredcommunity.md","pypi":"https://pypi.org/project/mordredcommunity/"},"maintenance":{"status":"active"},"meta":{"latest_release":"2026-01-22","license_spdx":null,"license_treatment":"permissive","name":"mordredcommunity","python_support":"supports_current","summary":"Community-Maintained Version of mordred"},"popularity":{"monthly_downloads":125172,"position":11833,"tier":"top_15000"},"security":{"n_vulnerabilities":0},"version":"2.0.7"}