five

MLIP Benchmark

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Zenodo2025-06-10 更新2026-05-26 收录
下载链接:
https://zenodo.org/doi/10.5281/zenodo.10901819
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资源简介:
Here we provide the following zipped due to limitations on the number of files in Zenodo. Datasets: The database of datasets used in the benchmark with 3 splits. ~3.8 GB Analysis: Additional analysis scripts and minor datasets used to validate observable properties. ~11 MB Speed: The LAMMPS input for performing our speed tests for each MLIP. ~55 KB Please note that the Zr-O dataset comes from the referenced work by Waters et. al with permission.
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Zenodo
创建时间:
2025-06-07
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