rdkit/rdkit

This is stars and forks stats for /rdkit/rdkit repository. As of 26 Apr, 2024 this repository has 2201 stars and 790 forks.

RDKit RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python. BSD license - a business friendly license for open source Core data structures and algorithms in C++ Python 3.x wrapper generated using Boost.Python Java and C# wrappers generated with SWIG 2D and 3D molecular operations Descriptor and Fingerprint generation for machine learning Molecular database cartridge for PostgreSQL supporting substructure and similarity searches as well as many descriptor...