HyDRA II Blind Challenge

HyDRA is a blind prediction challenge to establish the predictive power of computational spectroscopy for small complexes of organic molecules with water. The quantity to predict is the hydrogen-bonded OH bond stretching fundamental of water relative to the free water value of 3657 cm^-1 (experimental symmetric stretch). You can read more about the challenge on our flyer. The official start of HyDRA II was on the 16.09.2025.

The submission deadline for predictions is on the 20.03.2026. For registrations and target systems see https://qmbench.net/challenges/hydra2/hydra2. For submissions see https://qmbench.net/login?redirect=hydra2-submission. For training data, see https://qmbench.net/databases/hydra.