Data for https://arxiv.org/abs/2506.15061.
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https://figshare.com/articles/dataset/Data_for_https_arxiv_org_abs_2506_15061_/30242137
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资源简介：
This directory contains the DFT datasets used in training and evaluation:0_data.xyz: Initial training set for the first active learning cycle. bi_pool.xyz: Candidate pool for bilayer configurations. gra_pool.xyz: Candidate pool for monolayer configurations. train.xyz: Final dataset used to train the production ACE model. Test/: Contains all configurations used for testing the simulations reported in the paper. FineTuning/: Contains all configurations used for the fine-tuning experiments reported in the paper.
创建时间：
2025-10-01
