Data set of molecular properties used to train HIPNN+SEQM

Name: Data set of molecular properties used to train HIPNN+SEQM
Creator: Nebgen, Benjamin; Zhou, Guoqing
Published: 2022-06-10T00:00:00+08:00

Figshare2022-06-10 更新2026-04-08 收录

分子性质预测

计算化学建模

数据链接：

https://figshare.com/articles/dataset/Data_set_of_molecular_properties_used_to_train_HIPNN_SEQM/19640052/1 数据链接链接失效反馈

官方服务：

资源简介：

This dataset was used to train the published HIPNN+SEQM model. Code can be found here: https://github.com/lanl/PYSEQM https://github.com/lanl/hippynn

提供机构：

Nebgen, Benjamin; Zhou, Guoqing

创建时间：

2022-06-10

Data set of molecular properties used to train HIPNN+SEQM

资源简介：

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