Unstable Crystallographic & Molecular Structures for Machine Learning of System Energies

Name: Unstable Crystallographic & Molecular Structures for Machine Learning of System Energies
Creator: figshare
Published: 2024-05-30 08:02:31
License: 暂无描述

DataCite Commons2024-05-30 更新2024-07-28 收录

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https://figshare.com/articles/dataset/Unstable-Cristallo/12360620

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资源简介：

- Augmented-QM9 molecular structures at unstable positions -- augm-qm9-{train,test,valid}.json- Periodic crystal structures at unstable positions -- periodic-al-cu-crystal.json- Finite-sized crystal structures at unstable positions -- scaled-finite-crystal-{train,test,valid}.json- Finite-sized crystal structures (stable positions only) -- scaled-stable-crystal.json

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figshare

创建时间：

2020-05-22

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Unstable Crystallographic &amp; Molecular Structures for Machine Learning of System Energies

Unstable Crystallographic & Molecular Structures for Machine Learning of System Energies