Graph Neural Network for Metal Organic Framework Potential Energy Approximation
收藏NIAID Data Ecosystem2026-03-14 收录
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资源简介：
Data set consists of 50,000 different configurations for the Metal Organic Framework (MOF) FIGXAU. Was generated by randomly modifying the positions of the atoms and doing an SCF relaxation on each configuration.
创建时间：
2022-09-29
