rdkit

Using RDKit on Snowflake

The following repo provides code examples of getting started with making use of RDKit on Snowflake using Snowpark for Python.

The blog post that accompanies this repo is https://medium.com/@cur6382/cheminformatics-in-snowflake-using-rdkit-snowpark-to-analyze-molecular-data-9136afb2b10f.

To get started:

1. Fill in the creds.json file with the credentials to your Snowflake account.
2. Create a conda environment using the provided environment.yml file - run the conda env create -f environment.yml command on your terminal.
3. Activate your newly created environment using conda activate rdkit_snowpark.