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Published 20 hours ago • verified publisher icon chemprop
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Chemprop benchmarking scripts and data

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aggregation

Hello, I reviewed that in all the benchmarks the aggregation "norm" has been used. I was wondering why you selected to have "norm" aggregation instead of the default one. Best...

SoodabehGhaffari avatar SoodabehGhaffari

bde data

I see Rob Paton et al have a new bde dataset [https://github.com/patonlab/BDE-db2/tree/main/Datasets/bde-db2](url) would you have any tips on how to get this into a chemprop format given you may have...

Nick-Mul avatar Nick-Mul

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Chemprop benchmarking scripts and data

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