GitHub - suneelbvs/rdkit_tutorials: rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)

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

Name		Name	Last commit message	Last commit date
Latest commit History 17 Commits
data		data
1_Reading and Writing Smiles using rdKit.ipynb		1_Reading and Writing Smiles using rdKit.ipynb
2_Property calculation, Drug-like filters, and Similarity maps.ipynb		2_Property calculation, Drug-like filters, and Similarity maps.ipynb
3_Fingerprint Generation and Similarity Analysis.ipynb		3_Fingerprint Generation and Similarity Analysis.ipynb
4_Substructure and Similarity Search using rdKit.ipynb		4_Substructure and Similarity Search using rdKit.ipynb
README.md		README.md
rdkit.yml		rdkit.yml
retrosynth_models_comparison.ipynb		retrosynth_models_comparison.ipynb

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