Adaptive Transition State Refinement with Learned Equilibrium Flows
收藏Zenodo2025-07-24 更新2026-05-26 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.16414436
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资源简介：
Pretrained model and low-fidelity datasets, including:
The Transition1x dataset in ase.db format used for training.
The OA-Reactdiff data split applied in this work.
Files with the suffix _own refer to the same OA-Reactdiff split, but with 1,000 datapoints removed from trainingand used for validation during hyperparameter tuning.
Low-fidelity samples as .extxyz database.
提供机构：
Zenodo
创建时间：
2025-07-24
