- $ conda -c rdkit rdkit. Using in a Jupyter Notebook ... From the RDKit molecule object we can draw structures, compute fingerprints/properties, etc.
- The official sources for the RDKit library. Contribute to rdkit/rdkit development by creating an account on GitHub.
- The next major RDKit release, v2023.03.1 is finally here: https://github.com/rdkit/rdkit/releases/tag/Release_2023_03_1…
- What is RDKit? When I first scrolled through the RDKit “Getting Started” package, I was initially confused by all the numbers and chemical formulas.
- github.com/rdkit/rdkit Edit this at Wikidata. ... It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community.
- The wheels contain the compiled platform-specific dynamic libraries (*.so, *.dylib, and *.dll) and are available at PyPI. RDKit can easily be installed using.
- Version:2024.3.1 · 24 June 2024
- License:BSD-3-Clause
pip install rdkit - NOTE: the RDKit source code and downloads are now in github: https://github.com/rdkit/rdkit.
- RDKit is an open-source cheminformatics software toolkit which can be called from Python and includes API’s to generate SVG representations of chemical structures.