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README.md		README.md
conda.yml		conda.yml
diamond_light_source_covid19_candidates_retrosynthesis.ipynb		diamond_light_source_covid19_candidates_retrosynthesis.ipynb
example_full_pipeline.ipynb		example_full_pipeline.ipynb
reaction_scheme.png		reaction_scheme.png
rxn4chemistry_tour.ipynb		rxn4chemistry_tour.ipynb

README.md

Examples for `rxn4chemistry`

Setup the environment for the examples using conda:

conda env create -f conda.yml

Activate it and you are all set:

conda activate rxn4chemistry_examples

Create a dedicated kenel to run the notebooks:

ipython kernel install --name rxn4chemistry