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Published 20 hours ago • verified publisher icon chemprop

bde data

Open Nick-Mul opened this issue 9 months ago • 0 comments

I see Rob Paton et al have a new bde dataset https://github.com/patonlab/BDE-db2/tree/main/Datasets/bde-db2 would you have any tips on how to get this into a chemprop format given you may have done this for the bde dataset here ?

Many thanks, Nick

Nick-Mul avatar May 14 '24 15:05 Nick-Mul