Postera challenge
Created on December 12|Last edited on December 12
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Chemprop
Chemprop uses a directed message passing neural network. Why not try that?
I found the best results with Chemprop for pKi predictions when I :
- Trained in multi-task mode with pIC50
- Assigned heavier loss weightings to data points that have measurement for both pKi and pIC50.
Run set
3
Run set
2
Run set
2
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