← All problems
🌍 APOAI 2026, Contest
Molecular Energy and Dipole Moment Prediction
Regress energy and dipole-moment magnitude of small molecules from 3D atomic coordinates, training on only 200 examples.
- Statement
- English
- To hand in
- A predictions file
- Hardware
- A laptop is enough (CPU)
- Estimated difficulty
- Unknown
›How to tackle it
- Read the statement. What to hand in, the metric that scores you, the time and hardware limits.
- Explore the data. Size, format, missing values, how the labels are spread.
- Score yourself first. Keep part of the training data aside to measure your work before submitting.
- Start simple, then improve. A first solution that works end to end, then one change at a time.
- Compare with a solution. Once you have searched, open it and see what you would have done differently.
The statement, data and solutions belong to their authors; we only link to them.
Are you the author or organiser? Ask for a correction or removal