MD simulation data for training the T-NFF model
收藏DataCite Commons2021-01-07 更新2024-07-28 收录
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https://figshare.com/articles/dataset/MD_simulation_data_for_training_the_T-NFF_model/12967217
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资源简介：
Data training the model in the paper - "Temperature-transferable coarse-graining of ionic liquids with dual graph convolutional neural networks". This is molecular dynamics data from 4 different temperatures - 300, 350, 450 and 500, of the ionic liquid 1-Butyl-3-methylimidazolium tetrafluoroborate. Data is acquired from LAMMPS simulations, more details available on the paper. <br>
提供机构：
figshare
创建时间：
2021-01-07
