Assets for implementation benchmarking in Chemeleon2 repo (https://github.com/hspark1212/chemeleon2)
收藏Figshare2025-11-11 更新2026-04-28 收录
下载链接：
https://figshare.com/articles/dataset/Assets_for_implementation_benchmarking_in_Chemeleon2_repo_https_github_com_hspark1212_chemeleon2_/30589436
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资源简介：
This dataset contains Materials Project (MP) crystal structure data and preprocessed features for benchmark evaluations.Contents:mp_all_unique_structure_250416.json.gz (192.3 MB): All unique crystal structures from Materials Project (April 2025 snapshot)ppd-mp_all_entries_uncorrected_250409.pkl.gz (178.1 MB): Uncorrected MP entries in pickle formatmp_20_all_structure.json.gz (21.4 MB): MP-20 benchmark subset structuresmp_20_all_structure_features.pt (1.4 MB): Precomputed structure-based features for MP-20mp_20_all_composition_features.pt (92.6 MB): Precomputed composition-based features for MP-20Usage: Extract the benchmark data:`tar -zxvf benchmarks_mp_20.tar.gz`
创建时间：
2025-11-11
