rdkit
RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
To install this package, run one of the following:
RDKit is open-source cheminformatics software comprised of core modules written in C++, and optional wrappers for Python, Java, and C#. It supports 2D and 3D molecular operations, descriptor generation for machine learning, and cheminformatics nodes for KNIME, among other features.
Summary
RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
Last Updated
May 2, 2024 at 20:17
License
BSD-3-Clause
Total Downloads
49.8K
Supported Platforms
Unsupported Platforms
Home
https://rdkit.orgGitHub Repository
https://github.com/rdkit/rdkitDocumentation
https://www.rdkit.org/docs/index.html