BorgwardtLab / proteinshake

Protein structure datasets for machine learning.
https://proteinshake.ai
BSD 3-Clause "New" or "Revised" License
101 stars 9 forks source link

double check all tasks #230

Open timkucera opened 1 year ago

timkucera commented 1 year ago

look at label count and distribution in all splits for all thresholds to spot potential bias. Check that all metrics are appropriate. Implement all relevant metrics. Link relevant papers, follow their setup.