hugging-science/neb-mechanism-elucidation
neb-mechanism-elucidation Development host for the agent-visible input archive of the Terminal-Bench Science task neb-mechanism-elucidation. This repository is a file archive, not a tabular dataset. The Hugging Face dataset viewer is disabled on purpose. Contents Only neb-mechanism-elucidation/input/ is published here. That prefix contains the sanitized VASP evidence the agent may see. It does not contain the hidden reference, verifier files, or answer-bearing… See the full description on the dataset page: https://huggingface.co/datasets/hugging-science/neb-mechanism-elucidation.
neb-mechanism-elucidation
Development host for the agent-visible input archive of the Terminal-Bench Science task neb-mechanism-elucidation. This repository is a file archive, not a tabular dataset. The Hugging Face dataset viewer is disabled on purpose.
Contents
Only neb-mechanism-elucidation/input/ is published here. That prefix contains the sanitized VASP evidence the agent may see. It does not contain the hidden reference, verifier files, or answer-bearing annotations.
The task Dockerfile pins an immutable revision and verifies the archive checksum at image-build time. Do not treat main as the task pin.
License and attribution
Reaction geometries originate from the OC20NEB/CatTSunami corpus, derived from the Open Catalyst 2020 dataset (CC BY 4.0). The supplied VASP outputs were produced during the ATLAS transition-state campaign described in arXiv:2605.14154.
Licensed POTCAR files, wavefunctions, charge densities, and vasprun.xml are not included.
Before merge, this development copy must be mirrored to `harborframework/terminal-bench-science-lfs` and the task re-pointed at that organization dataset.