Dataset for training and testing the SCFNN model

NIAID Data Ecosystem2026-03-13 收录

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https://zenodo.org/record/5521327

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资源简介：

This is the DFT calculation results of water cubic box under various strength of external electric field. This dataset is used to train and test the SCFNN model.

创建时间：

2021-12-06

Dataset for training and testing the SCFNN model

train_test_data.tar.gz contains the DFT calculation results of water cubic box under various strength of external electric field. This dataset is used to train and test the SCFNN model. HirshfeldMulli

Zenodo2021-12-06 更新00

Dataset for training and testing the SCFNN model

Zenodo2021-12-06 更新00

Training, testing data, and trained model

The dataset includes the training/testing data for the graph neural network (GNN)-based simulator (GNS) used in Choi and Kumar (2023) "Three-dimensional granular flow simulation using graph neural net

Mendeley Data2024-06-05 更新30

Dataset for training and testing the SCFNN model

This is the DFT calculation results of water cubic box under various strength of external electric field. This dataset is used to train and test the SCFNN model.

Zenodo2021-09-22 更新00

Training, testing data, and trained model

DataCite Commons2025-06-02 更新20