UMA-AQ adapter: per-relaxation predictions, evaluation logs and analysis plans

Predictions, training/evaluation logs and analysis plans (with their full edit history) accompanying the preprint “Adapting UMA to spin-polarized AQCat25 without catastrophic forgetting with task-gated LoRA” (doi:10.26434/chemrxiv.15010987/v1). Contains per-structure model predictions for zero-shot UMA and the task-gated LoRA adapters, run logs, and the analysis plans used for each evaluation stage. AQCat25 DFT energies and forces are not redistributed; they can be joined from the user’s own AQCat25 copy with the scripts in the code record. File integrity can be checked against SHA256SUMS. Code: doi:10.5281/zenodo.23860497. Adapter weights (restricted, on request): doi:10.5281/zenodo.23860868. License: CC BY-NC-SA 4.0.