The RDKit is a group of C++ and Python-based cheminformatics and machine learning programmes. Cheminformatics is primarily concerned with indexing, storing, retrieving, and using data on chemical substances (e.g., physical properties, spectroscopic signatures, etc.). Compound selection, virtual library creation, virtual high throughput screening, HTS data mining, and in silico ADMET are some of its drug development uses. This repository is devoted to my passion for drug discovery and how the Google Colab can employ RDKit commands.
- Installing RDKit with pip in google colab
