This repo provides starter notebooks and example workflows for the OpenADMET PXR Blind Challenge — a community benchmark for predicting PXR (Pregnane X Receptor) induction.
For full challenge details, background, and dataset descriptions, see the announcement post.
Training and test data are available on Hugging Face:
openadmet/pxr-challenge-train-test
- Activity Track: Training regression models on pEC50 data.
- Structure Track: Structural modeling and submission formatting.
Join the Discord server for Q&A and discussion in the #pxr-challenge channel.
- Training/Test sets released: April 1
- Phase 1 concludes / interim Activity leaderboard: May 25
- Analog Set 1 unblinded: May 26
- Submission deadline (all tracks): July 1