Quantum-Accurate Machine Learning Potentials for Metal-Organic Frameworks using Temperature Driven Active Learning
收藏NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/11176256
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资源简介：
It contains reference training and test set configurations (and corresponding energy, forces, and virial stress values) for ZIF-8 and MOF-5.
创建时间：
2024-05-10
