Package profile
rdkit
- Summary: A collection of chemoinformatics and machine-learning software written in C++ and Python
- Author: Christopher Kuenneth
- License: BSD-3-Clause
- Homepage: https://github.com/kuelumbus/rdkit-pypi
- Source: https://github.com/kuelumbus/rdkit-pypi
- Number of releases: 44
- First release: 2022.3.3 on 2022-06-17
- Latest release: 2026.9.1 on 2026-10-09
- Latest release size: 24.4 MB (wheel)
Dependencies
Rdkit has 2 dependencies, 0 of which optional.Dependent packages
| Package | Optional | Group |
|---|---|---|
| deepchem | false | |
| molify | false | |
| pytdc | false | |
| rdkit2ase | false | |
| chembl-downloader | true | notebooks |
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