Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

conda-forge.org : cdk

Molecule and reaction valence bond representation. Read and write file formats: SMILES, SDF, InChI, Mol2, CML, and others. Efficient molecule processing algorithms: Ring Finding, Kekulisation, Aromaticity. Coordinate generation and rendering. Canonical identifiers for fast exact searching. Substructure and SMARTS pattern searching. ECFP, Daylight, MACCS, and other fingerprint methods for similarity searching. QSAR descriptor calculations

Registry - Source - JSON
purl: pkg:conda/cdk
Keywords: bioinformatics, blueobelisk, cheminformatics, chemistry, code4lib, java
License: LGPL-2.0-only
Latest release: over 2 years ago
First release: over 2 years ago
Stars: 397 on GitHub
Forks: 151 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 2 days ago

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