Thanks to the organizing team for organizing such an interesting challenge ! My question is - is it possible to provide individual scores (no of clusters scored) to the teams, for their submissions ? I am sure that would help the teams in further steps. Is there a reason not to provide this information and could you explain it, as this is not usual for the challenges. Thanks, Tom

Created by Tomislav Smuc smuc
Hi Tom, the goal is to compare how ML models perform on their own (step #1) vs when complemented with structure-enabled approaches (step #2). If a team sees they did well in step #1, they are likely to use the same ML model in step #2, which is perfect. But if they didn't do great in step #1, they might switch to a different model in step #2 while they may still be doing very well by selecting say their top 5000 compounds and running a virtual screen on this. We agree that in many cases, knowing step #1 scores would not affect the overall results. Maybe we'll proceed differently next time. Thanks for the feedback!

Why not providing individual scores to the teams for their submissions ? page is loading…