FRASE-bot-RDKit is a collection of cheminformatics protocols designed for data processing on FRASE screening, developed in Python with RDKit, a powerful cheminformatics toolkit. This version ...

After I updated my RDKit version from 2014 to 2015. I am getting the below error. Any suggestions regarding this is appreciated. I am using Mac OSx El Capitan with ...

GUIDEMOL is a Python computer program based on the RDKit software to process molecular structures and calculate molecular descriptors with a graphical user interface using the tkinter package. It can ...

This article demonstrates how to create Chemical Space Networks (CSNs) using a Python RDKit and NetworkX workflow. CSNs are a type of network visualization that depict compounds as nodes connected by ...