RDKit

Popular repositories

1. rdkit

   The official sources for the RDKit library

   HTML 1.3k 572

2. rdkit-tutorials

   Tutorials to learn how to work with the RDKit

   Jupyter Notebook 94 46

3. mmpdb

   A package to identify matched molecular pairs and use them to predict property changes.

   Python 80 30

4. UGM_2020

   Materials from the (virtual) 2020 RDKit UGM

   Jupyter Notebook 42 20

5. conda-rdkit

   Conda build recipe for the rdkit

   C 41 28

6. homebrew-rdkit

   Homebrew formula for rdkit

   Ruby 38 19