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Added citation to readme
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@daenuprobst
daenuprobst authored Jul 7, 2021
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Expand Up @@ -62,3 +62,6 @@ The library contains the class `DrfpEncoder` with one public method `encode`.

# Reproduce
Want to reproduce the results in our paper? You can find all the data in the `data` folder and encoding and training scripts in the `scripts` folder.

# Cite Us
>Probst, D., Schwaller, P., & Reymond, J.-L. (2021). Reaction classification and yield prediction using the differential reaction fingerprint DRFP. doi:10.33774/chemrxiv-2021-mc870

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