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rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)

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Installation and configuration:

Step 1: download and Install anaconda from anaconda.org

Step 2: Install conda environment from rdkit.yml by using this command in anaconda terminal : "conda env create -f environment.yml"

Step 3: check for installation : conda env list

Step 4: Activate the environment : conda activate rdkit-training

Step 5: check the list of packages available in rdkit-training env : conda list

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